ntp.ch.uj.edu.plntp.ch.uj.edu.pl/courses-2007-2008 - 5-year master.pdfntp.ch.uj.edu.pl

Jagiellonian University

Faculty of Chemistry

LIST OF COURSES

CHEMISTRY

(5-year Master Program)

2007/8

2

1. Course code: A101

2. Title of the course: Principles of chemistry

3. Tutor: Prof. Roman Dziembaj

4. Teaching objectives: Developing understanding and ability of using of fundamental laws and concepts of

chemistry. Creating basis for studying of all disciplines of chemistry, especially inorganic,

organic, analytical and physical chemistry. Equalizing level of students coming from different

types of high schools. In laboratory students obtain many manual skills, learn about

observation of experiments, drawing conclusions and their formulation in written reports.

Description of the unit included in the course: lecture(w), classes(n), laboratory (l), tutorials(k), seminar (s), calculation classes(c), lecture

and classes(i)

Lecture 1. Course code: A101W

2. Type of course: lecture

3. Tutor: Prof. Roman Dziembaj

4. Number of hours: 45

5. Description of the course: Stoichiometry and stoichiometric calculations, concentration of solutions. Ideal gas law, real

gases, types of intermolecular interactions. Heat of chemical reactions, Hess law, enthalpy of

formation, additivity of bond energy. Equilibrium of chemical reaction, ∆G0 = -RTlnK,

direction of spontaneous reactions, Le Chatelier principle. Brönsted acid and bases,

dissociation of water, pH, hydrolysis, buffers, dissociation constant, protic solvents. Redox

reactions, standard potentials, Nernst equation , ∆G0 = -nFE

0. Phase equilibria, Gibbs phase

rule. First and second order kinetic equations, collision theory, Arrhenius equation, catalysts

and inhibitors. Experimental basis of quantum theory. Schrödinger equation for hydrogen

atom, quantum numbers, wavefunctions and their radial and angular parts, orbitals, spectrum

of the hydrogen atom. Multielectron atoms, electron configurations – aufbau principle and

exemptions, Slater rules, effective nuclear charge and electron energy in multielectron atoms.

Molecular orbitals as linear combinations of atomic orbitals, homonuclear diatomic

molecules, energy diagrams. Heteronuclear diatomic molecules, electronegativity, dipole

moment, bond polarization. Hybridization sp3, coordination tetrahedron, alkanes, isomers,

conformers. Hybridization sp2, alkenes, cis-trans isomers, ozone molecules, delocalization of

electrons, aromatic hydrocarbons. Symmetry of molecules, basic symmetry elements, optical

isomers. Crystal lattice, hexagonal and regular unit cells. Electron bands, intrinsic and doped

semiconductors, structural defects, nonstoichiometry. Lewis acids and bases, donor-acceptor

bonds, hard and soft acid and bases, examples of coordination compounds, polyions,

multicenter complexes.

6. Method of evaluation: written exam

7. ECTS: 3.5

8. Semester: winter

9. Bibiography: Basic: 1. A. Bielański Podstawy Chemii Nieorganicznej, (wydanie V zmienione) rozdz. I-IV,

V (§1 i 2), VI, VII, IX-XII, XIV (§1-5 oraz 10), XV (§1-3) PWN, Warszawa 2002

2. R. T. Morrison, R.M. Boyd Chemia organiczna, rozdz. I i XII, PWN, Warszawa 1990 i

wydania późniejsze

Additional:

3

1. J. E. Wells Strukturalna chemia nieorganiczna, tłum. polskie, WNT, Warszawa 1993

2. R.T. Morrison, R.M. Boyd Chemia organiczna, PWN, Warszawa 1990 i wydania

późniejsze

3. D.F. Shriver, P.W. Atkins i C.H. Langford Inorganic Chemistry, Oxford University Press,

1991

4. L. Jones i P. Atkins, Chemia ogólna – Cząsteczki, materie, reakcje, PWN, Warszawa,

2004

5. F.A. Cotton, G. Wilkinson, D.L. Gaus Chemia nieorganiczna - podstawy, PWN,

Warszawa 1995

PRINCIPLES OF CHEMISTRY

Hours:; credit: ; ECTS: semester: 1;entry conditions: student recruitment: SYM./-;

maximal number of participants: 160/ - completing requirements:.

Laboratory

1. Course code: A101L

2. Type of course:

3. Tutor: Dr Anna Reizer

4. Number of hours: 105 of laboratory practice

5. Description of the course: Course content: Laboratory techniques; Preparative inorganic chemistry; Separation mixture

(crystallization, fractional destination, extraction, sublimation); Chemical equilibrium in

aqueous solution, pH, dissociation constant, equilibrium between acid-bases, solid-solution,

buffers; Compound complexes; Redox reaction; Electrochemistry; Chemical kinetics;

Elements of qualitative analysis cations and anions.

6. Method of evaluation: internal assessment

7. ECTS:

8. Semester: 1

9. Bibiography: Basic bibliogaphy:

A. Reizer – redakcja „Ćwiczenia z podstaw chemii i analizy jakościowej” skrypt

Uniwersytetu Jagiellońskiego

A. Bielański Podstawy Chemii Nieorganicznej (wydanie II poprawione) PWN Warszawa

1999 i wydania późniejsze

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2. Title of the course: Mathematics

3. Tutor: Dr Marian Łoboda

4. Teaching objectives: Preparing for solving mathematical problems in physics and

chemistry

Description of the unit included in the course:

4

lecture(w), classes(n), laboratory (l), tutorials(k), seminar (s), calculation classes(c), lecture

and classes(i)

Lecture

1. Course code: A102W




5. Description of the course:

Real sequences and series, tests for convergence, power series.

Limits and continuity of functions, elementary limits, properties of continuous functions.

Differential calculus of one variable functions, Taylor's formula, extremes.

Indefinite integrals, integration of some classes of functions.

Definite integrals, construction, properties, geometric applications, improper integrals.

Algebraic structures: groups, fields, vector spaces, linear operators.

Complex numbers, operations, functions.

6. Method of evaluation: writing exam

7. ECTS: 3,5

8. Semester: winter term

9. Bibiography:

Calculation classes

1. Course code: A102C

2. Type of course: Calculation classes

3. Tutor: scientific workers of Department of Mathematics and Computer Science


5. Description of the course: compatible with lectures

6. Method of evaluation: writing tests

7. ECTS: 5


9. Bibiography:

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5


2. Title of the course: Mathematics


4. Teaching objectives: Preparing for solving mathematical problems in physics and

chemistry



and classes(i)

Lecture





5. Description of the course: Matrices, operations, determinants, quadratic forms.

Systems of linear equations, Cramer's formula.

Elements of geometry, scalar and vector products, lines and planes in the space.

Functions of several variables: partial derivatives, total differentials, gradients, partial

derivatives and differentials of higher orders, local and conditional extremes.

Differential equations, methods of solving.

Multiple integrals, physical and geometrical applications.

Elements of probability.

6. Method of evaluation: writing exam

7. ECTS: 3.0

8. Semester: summer term

9. Bibiography:

Calculation classes



12. Tutor: scientific workers of Department of Mathematics and Computer Science


6

14. Description of the course: compatible with lectures

15. Method of evaluation: writing tests

16. ECTS: 3,5


18. Bibiography:

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1. Course code: A 103

2. Title of the course: Physics

3. Tutor: Prof. dr hab. Andrzej Szytuła

4. Teaching objectives:

The main aim of the course is to give basic knowledge of the fundamentals in mechanics. The

lecture illustrates the theoretical and experimental character of physical science. Tutorials

give familiarity with some of the mathematical methods used in physics. Physics Lab trains

experimental problem-solving techniques including experimental error calculations.



and classes(i)

Lecture

1. Course code: A 103w


3. Tutor: Prof. dr hab. Andrzej Szytuła



The topics of the lecture include basic concepts of mechanics, general motion of particles in

three dimensions, particle dynamics including noninertial frames of reference, work and

energy, the universal law of gravitation, systems of particles, motion of rigid bodies in three

dimensions, collisions, dynamics of oscillating systems, mechanical waves, elasticity and

acoustics.

7

A calculus-based approach is employed. The lecture is illustrated by numerous

demonstrations.

6. Method of evaluation: test exam

7. ECTS: 3

8. Semester: winter

9. Bibiography:

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2. Title of the course: Physics

3. Tutor: Professor Zbigniew Majka

4. Teaching objectives: Basic course in physics and mathematical method of physics.

Calculation classes allow students to gain their abilities in using mathematical

methods to describe phenomena. The goals of few laboratory exercises are teaching

of physical quantity measurements, data analysis and the error evaluations.



and classes(i)

Lecture



3. Tutor: Professor Zbigniew Majka


5. Description of the course: Static electric and magnetic fields. Field operators.

Electric and magnetic fields in matter. Currents. Introduction to electrodynamics.

Maxwell’s equations. Electromagnetic waves and light. Elements of optics.

6. Method of evaluation: examination, test

7. ECTS: 3.0

8. Semester: summer

9. Bibiography:

8

D. J. Griffiths, Introduction to Electrodynamics, third edition, Prentice-Hall Co.,, 1989

Laboratory


2. Type of course: laboratory

3. Tutor: Professor Andrzej Magiera


5. Description of the course: Mechanics: mathematical pendulum, rotational motion

law, determination of moment of inertia, determination of viscosity coefficient,

suppressed pendulum; Heat: determination of water vaporization heat, ice melting

heat, solid state and liquid specific heats; Electricity: determination of temperature

coefficient of metal resistance, capacity of capacitors; Optics: determination of lens

focal point, of emission spectra, of diffraction and interference on the gap, of wave

length using diffractive net.

6. Method of evaluation: 6 exercises and exercise reports

7. ECTS: 2,5

8. Semester: summer

9. Bibiography:

Calculation classes



3. Tutor: Department of Physics Staff


5. Description of the course: Compatible to the lectures and laboratory

6. Method of evaluation: tests

7. ECTS: 2.5

8. Semester: summer

9. Bibiography:

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9

2. Title of the course: Analytical Chemistry I

3. Tutor: dr Stanisław Walas


• Instruction of the students about the fundamentals of qualitative, quantitative and

instrumental analysis basing on knowledge acquired in the course of general chemistry.

• Acquaintance the students with selected analytical methods and necessary laboratory

techniques on hand of individual work.

• Introduction to good laboratory practice, calculation, data handling and evaluation results

uncertainty.



and classes(i)

Lecture






General problems: the tasks and importance of analytical chemistry in science and

technology. Outline of history. Basic concepts of analytical chemistry: sample, signal,

analytical method and analytical process. Classification of analytical methods. Theory and

practice of sampling. Sample pretreatment (decomposition and digestion, separation of the

components). Introduction to qualitative analysis: identification and separation of selected

ionic species in solution, group reagents. Sensitivity of analytical tests. The principles of

qravimetry. Classification of gravimetric methods. The solubility and physical properties of

analytical precipitates. Organic reagents used in gravimetry. Advantages, disadvantages and

applications of gravimetric methods. The principles of titrimetry. Classification of volumetric

methods: alkali– and acidimetry, precipitation analysis, complexometry, redoxometry.

Primary and secondary standards. Advantages and disadvantages of titrimetric methods.

Introduction to instrumental methods of analysis. The classical versus instrumental analysis.

Calibration. Electrochemical methods. Ion-selective electrodes. Potentiometric analysis.

Absorption of light by coloured solutions. Beer’s law. Colorimetry and spectrophotometry.

Selected separation techniques. Errors in chemical analysis and their origin. Statistical

10

interpretation of analytical data. Standard methods of analysis. Standards and reference

materials.

6. Method of evaluation: multiple choice test examination. Students are allowed to sit

the examination on condition that they have fulfilled all requirements of the laboratory

and tutorials

7. ECTS: 3

8. Semester: 2

9. Bibiography:

1. A. Cygański, Chemiczne metody analizy ilościowej, Warszawa, WNT, 1999, wyd. 5

2. A. Rokosz, Wprowadzenie do chemii analitycznej, Kraków, UJ, 1980

3. J. Minczewski, Z. Marczenko, Chemia analityczna, t.1 i 2, Warszawa, PWN, 1985

4. W. Szczepaniak, Metody instrumentalne w analizie chemicznej, Warszawa, PWN, 1996

Laboratory



3. Tutor: dr Jolanta Kochana



Gravimetric determination of one of the following cations: barium, iron, nickel. Calibration of

volumetric glassware. Preparation and standardization of sodium hydroxide solution and

determination of hydrochloric acid sample. Preparation and standardization of thiosulfate

solution. Bromate titration of phenol. Iodimetric determination of hydrochloric acid.

Complexometric determination of the total water hardness. Analysis of multicomponent

samples: determination of H+, Mg

2+, Na

+ with use of ion exchange resin. Separation ions of

copper and iron and complexometric determination of copper with EDTA and

spectrophotometric determination of trace amounts of iron(III) with thiocyanate. Analysis of

real samples: determination of oxygen dissolved in water by Winkler’s method. Titrimetric

determination of acetic acid in commercial vinegar with visual and potentiometric end–point

detection.

6. Method of evaluation: Results of the analytical process

7. ECTS: 6

8. Semester: 2

9. Bibiography:

11

1. A. Cygański, Chemiczne metody analizy ilościowej, Warszawa, WNT, 1999, wyd. 5

2. A. Rokosz, Wprowadzenie do chemii analitycznej, Kraków, UJ, 1980

3. J. Minczewski, Z. Marczenko, Chemia analityczna, t.1 i 2, Warszawa, PWN, 1985

4. W. Szczepaniak, Metody instrumentalne w analizie chemicznej, Warszawa, PWN, 1996

5. A. Cygański, B. Ptaszyński, J. Krystek, Obliczenia w chemii analitycznej, Warszawa, WNT, 2000

Tutorials

1. Course code: A204K

2. Type of course: tutorials




The joining of the principal topics of lectures and laboratory exercises program. Connection

of theoretical aspects of particular determinations with good laboratory practice. Broadening

of understanding theory of applied methods.

6. Method of evaluation: multiple choice tests

7. ECTS: 1

8. Semester: 2

9. Bibiography:

A205/A305 ORGANIC CHEMISTRY

Head: Janusz Jamrozik PhD, DSc

Lecture: 45 hrs (2 semester) + 45 hrs (3 semester)

Seminar: 45 hrs (2 semester) + 45 hrs (3 semester)

Laboratory: 180 hrs (3 semester)

ECTS: 24.5 (3.5 lec + 3.5 sem + 3.5 lec + 3.0 sem + 11 lab)

Teaching objectives:

The main purpose of teaching organic chemistry is providing students with a key to

understanding chemistry of carbon compounds, showing that the knowledge of organic

chemistry is necessary to understand principles of biology and medicine and to encourage

them to study further these fascinating subjects.

At the end of the tutorial students should be able to solve problems, to think in an abstract

way, to apply known solutions in new situations, to compare and interpret data, to present in a

spoken and written manner the obtained results, to take part actively in discussions, to be

prepared for a tem work.

During a laboratory practice, partly supervised and partly co-operative, students should learn:

how to plan and carry our syntheses, multi-step processes and functional group protection

strategies; how to use chemical literature (Beilstein, Chemical Abstracts, Current Contents);

how to complete laboratory experiments safely (especially when flammable materials,

bromine, cyanides and other toxic organic substances are used); how to protect the

environment (knowledge of SDS). Additionally students gain a wide variety of manual skills,

learn to observe experiments and to draw certain conclusions from them, and report

12

experimental results in a written form (often with the help of word processors). Exercises

teach how to tackle and solve problems and how to organises own time (students choose the

sequence of exercises by themselves).

A205/A305lec Lecture ECTS 7.0 (3.5 + 3.5)

Lecturer: Janusz Jamrozik PhD, DSc

Isomerism in organic chemistry: constitutional, stereoisomerism. Alkanes, cycloalkanes,

alkenes, alkynes: preparation and reactivity. Radical substitution, addition to multiple bonds.

Radical and carbo-cation structure and stability, carbo-cation rearrangements. Conjugated

dienes, resonance. Alkyne electrophilic addition. Stereochemistry: stereogenic (chiral)

centres. Enantiomers, diastereoisomers, meso compounds, racemic mixtures and their

separation. Conformational analysis of cyclohexane. Aromatic compounds: aromaticity

criterion. Resonance. Electrophilic substitutions. Isomerism of the polysubstituted aromatic

compounds. Nucleophilic aromatic substitutions. Benzyne. Halogenation of alkylbenzene side

chains, benzyl cation, anion, radical. Polycyclic aromatic hydrocarbons. Spectroscopy in

structure determination of organic compounds. Alkyl halides: necleophilic substitutions SN1,

SN2. Elimination reactions E1 and E2 – mechanism and stereochemistry. Alkohols, phenols,

ethers and epoxides: synthesis and reactivity. Dehydration, conversion into alkyl halides,

oxidation, reactions with metals, alkyl halides, phosphorus trihalides, acylation. Aldehydes

and ketones: structure and properties of carbonyl group. Nucleophilic addition of: water,

alcohols, amines and Grignard reagents to carbonyl compounds. Aldol condensation,

Cannizzaro reaction, Wittig reaction. Carboxylic acids and their derivatives. Acidity.

Synthesis of carboxylic acids and their reactivity. Formation of esters, acid chlorides, amides

and acid anhydrides. Acyl substitution reactions. Carbonyl -substitution reactions: keto-enol

tautomerism, -halogenation, alkylation and acylation of enolate ions. The application of

acetoacetic and malonic esters in organic synthesis. Carbonyl condensation reactions: aldol

reaction, Claisen condensation, Michael addition and similar reactions. Enamine 1H and 13C

nuclear magnetic resonance: chemical shifts, intensity of signals, spin-spin couplings;

determination of structural elements and their sequence in organic molecules. Ultraviolet and

visible spectroscopy: spectra of species with conjugated bond system: dienes, enones and

aromatic compounds. Colour of organic molecules. The scope and limitation of certain

methods. Complementary usage of all the mentioned methods for structure elucidation of

organic compounds.

Assessment: written exam

A205/A305s Seminar ECTS 6.5 (3.5 + 3.0)

Tutorial is complementary to the lecture: Organic Chemistry and it emphasises problems that

need student co-operation in small groups. The convincing examples are here stereochemistry

taught with the help of molecular models or structure elucidation by means of spectroscopic

methods. These problems are illustrated by many exercises solved during tutorials or

suggested for student’s own work. During tutorials, reaction mechanisms will be explained by

various examples and many problems discussed that should lead to deeper understanding of a

broad area of organic chemistry.

Introduction. The structure of organic molecules resulting from sp3, sp

2, and sp

hybridisation. Homolytic and heterolytic bond cleavage, acidity and basicity of organic

compounds, nucleophilicity and electrophilicity of reagents, inductive and resonance

effect. IUPAC rules of nomenclature including E/Z and R/S configuration. Types of

organic reactions. The structure of carbocation, carboanion and radical.

13

Stereochemistry. Kinds of stereoisomerism. The specification of stereoisomers number and

the relation between them. Configuration of stereogenic centres. Presentation of configuration

on the plane. Molecular models. Conformation analyses of alkanes: ethane, butane,

cyclohexane and its mono and disubstituted derivatives. Stereochemistry of halogen addition

to the double bond, stereochemistry of SN1 and SN2. Monosaccharides: D configuration,

anomers, epimers, anomeric effect. Disaccharides – explanation of their structure. Amino

acids, configuration , L.

Reaction mechanisms. Substitution: radical, electrophilic, nucleophilic. Addition to the

multiple bonds: electrophilic and nucleophilic. Elimination. Some factors having influence on

reaction mechanism, mechanism competition, e.g. SN/E. Aldol condensation. Substituent

effects in aromatic electrophilic substitution. Rearrangements.

The outlines of organic synthesis planning. Protecting groups, inter-conversion of functional

groups, formation of carbon skeleton, multi-step syntheses, the way from product to starting

material.

Application of spectroscopic methods for structure elucidation

Mass spectrometry: molecular formula and the presence of some elements (Cl, Br, S, I, F, N)

in organic compounds; fragmentation pathways of basic classes of organic compounds.

Infrared spectroscopy: absorption bands characteristic for typical structural elements and

functional groups; dependence of some group frequencies on conjugation. 1H and

13C nuclear magnetic resonance: chemical shifts, intensity of signals, spin-spin

couplings; determination of structural elements and their sequence in organic molecules.

Ultraviolet and visible spectroscopy: spectra of species with conjugated bond systems: dienes,

enones and aromatic compounds. Colour of organic molecules.

The scope and limitations of certain methods. Complementary usage of all the mentioned

methods for structure elucidation of organic compounds.

Assessment: graded credits

A305lab Laboratory ECTS 11.0

Head: Dr. Bożena Kawałek

Goals: knowledge of basic techniques used in a preparative organic chemistry as well as some

elements of organic analysis. Students get acquainted with the application of the following

unit operations (some of them known from the Principles of Chemistry course) for the

synthesis, separation, isolation, purification and identification of reaction products:

crystallisation from organic solvent (the choice of a proper solvent included), distillations

(simple, fractionated, steam and vacuum), the usage of a rotary evaporator, chromatographic

techniques (thin layer – the choice of conditions included – and column chromatography),

extraction with organic solvents, heating of reaction mixtures under reflux condenser,

filtration under reduced pressure, drying of solvents, solutions and solids, determination of

physical properties (melting and boiling points, refraction).

Organic synthesis experiments are ordered into seven groups which illustrate the following

basic types of organic reactions explained earlier during lectures: addition and elimination,

nucleophilic substitution, electrophilic aromatic substitution, nucleophilic aromatic

substitution, reactions of carbonyl compounds, oxidation and reduction, synthesis of

heterocyclic compounds and rearrangements.

Each student is obliged to perform the following experiments: twelve syntheses (at least one

of each group), some of the as multi-step syntheses; one experiment based on literature data

preceded by a short course on literature search (students are obliged to find in literature some

methods of synthesis of a given compound, to choose the proper one, to discuss that problem

with a tutor and, finally, to carry out the experiment); one experiment prescribed by a tutor,

14

fitting in level of difficulty student’s ability and very often related to research done at the

Department of Organic Chemistry.

Analytical part of laboratory practice concerns one sample analysed by means of classical

chemical methods and another analysed by spectroscopy means.

Assessment: assessment of theoretical background for experiments, experimental results,

written reports

A409 ELEMENTS OF BIOCHEMISTRY

Head: Prof. Jerzy Silberring PhD, DSc

Lecture: 30 hrs (4 semester)

ECTS: 2.0

Teaching objectives: Basic components of living organisms (nucleic acids, proteins, oligosacharides, lipids) –

structure, physicochemical properties and structure-function relationship.

A409lec Lecture ECTS 2.0

Lecturer: Piotr Laidler PhD, DSc, Prof. Jerzy Silberring PhD, DSc

Assessment: written and test exams

Basic groups of compounds:

Nucleic acids. Structural elements of pro- and eukaryotic cells. Purine and pyrimidine bases,

ribose and deoxyribose, nucleosides and nucleotides – their structure and physicochemical

properties. DNA and RNA – differences in structure, physicochemical properties,

denaturation. DNA – replication, mutation and repair. RNA – ribosiems (catalytic properties,

transcription). Biosynthesis of protein – role of RNA, ribosomes, amino acids and their

activation. Molecular basis of neoplasm processes. Application of molecular biology

techniques – oligonucleotides, recombinanted DNA, PCR, transgenic animals.

Proteins. Peptides – peptide bonding, peptide precursors , biologically active peptides, role of

peptides in central nervous system. Simple and conjugated proteins – structure of I-IV order,

denaturation – relationship between structure and function. Haemoglobin – allosteria,

pathologic haemoglobins – relationship between structure and function of proteins. Enzymes

and their inhibitors – mechanism of activity (chymotrypsin), cholinesterase and conveterase

of angiotensin and their inhibitors. Neuropeptides in alcohol and drug addiction. Participation

of peptides in conduction of stimuli.

Carbohydrates. Monosacharides and disacharides – properties. Polisacharides – starch

(amylose and amylopectin), glycogen, cellulose – structure and properties. Glycoproteins and

their oligosacharide components. Role of carbohydrates in organism – energetic metabolism.

Defects in carbohydrates transformations .

Lipides. Division of lipides. Biological films – structure and properties. Role of lipides in

organism – basic transformations. Defects in lipdes transformations.

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15

2. Title of the course: Computer laboratory

3. Tutor: Dr. Habil. Janusz Mrozek

4. Teaching objectives: Teaching students processing of experimental data and editing

laboratory reports using computer software for numerical calculations, computer text

editors. Students should learn also how to use facilities provided by the computer network

of Faculty of Chemistry.



and classes(i)

Laboratory

1. Course code:

2. Type of course:

3. Tutor:

4. Number of hours:


Teaching students processing of experimental data and editing laboratory reports using computer

software for numerical calculations, computer text editors. Students should learn also how to use

facilities provided by the computer network of Faculty of Chemistry including such set of standard

operations like e.g. starting various types of sessions on workstations in student laboratories,

logging in, changing passwords and operations on files and directories. Students shall also learn

how to use software included into MS Office 2000 such as: Access, Excel, PowerPoint and Word for

running basic calculations and preparing reports. Acquired knowledge and skills shall be useful both

during the studies and in future work.

6. Method of evaluation: 3 tests during the course

7. ECTS: 2.0

8. Semester:winter

9. Bibiography:

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Laboratory


2. Type of course:

3. Tutor:

16

4. Number of hours:


Using e-mail software and groupwork tools in MS Outlook, and other e-mail programs like

e.g. pine, Pegasus Mail. Preparing presentations in MS PowerPoint Moving objects and data

between programs of MS Office. Writing basic macroinstructions in MS Word and Excel.

6. Method of evaluation: 1 test at the end of the semester

7. ECTS: 1.0

8. Semester: summer

9. Bibiography:

1. A. Eilmes, Word dla chemików, wyd. MIKOM 2001

2. M. Pilch, Excel dla chemików, wyd. MIKOM 2001

3. A. Michalak, PowerPoint dla chemików, wyd. MIKOM 2002

4. Microsoft instruction manuals for MS Office

5. opisy podstawowych poleceń systemów Windows NT i Linux

6. on-line documentation for ssh, ftp, telnet i SMB

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2. Title of the course: Physical Chemistry

3. Tutor: prof. dr hab. Maria Paluch

4. Teaching objectives: Student should master the basic issues of physical chemistry and

gain the ability to apply laws describing physicochemical phenomena (on the basis of

mathematical laws). Student should also acquaint with various research methods and

maintenance of the equipment used in determination of various physicochemical values.

Gaining the ability of interpretation and description of the experimental results and teamwork

in the frame of students group



and classes(i)

Lecture

1. Course code: A307w

2. Type of course: Physical Chemistry

3. Tutor: prof. dr hab. Marek Wójcik, prof. dr hab. Maria Paluch

17

4. Number of hours: 30 hours

5. Description of the course: (covers also course A407, which is a continuation of this

course in the summer semester) Molecular spectroscopy: permanent and induced dipole

moments, polarization, rotational and vibrational spectra of molecules, characteristics of

electronic transitions – transition dipole moment, magnetic properties of molecules,

nuclear magnetic resonance, electron spin resonance, mass spectrometry. First law of

thermodynamics: parameters of state, functions of state, work, heat, internal energy,

enthalpy, enthalpy of chemical reactions, bond energies, correlation of thermo-chemical

data, Kirchhoff’s law, relation between Cv and Cp, adiabatic change. Second law of

thermodynamics: statistic and thermodynamic definition of entropy, Carnot cycle,

Helmholtz and Gibbs functions, chemical potential. Phase transitions of simple mixtures:

partial molar quantities, Gibbs-Duhem equation, Raoult’s law and Henry’s law,

ebullioscopic and cryoscopic constants, osmosis. Real solutions: activity and activity

constant, fugacity. Phase transitions in multicomponent systems: phase rule, liquid-liquid

and liquid-solid diagrams, three-component systems. Equilibrium in chemical reations:

equilibrium constants, dependence of equilibrium constant on temperature and pressure.

Kinetics of chemical reactions: rate constants of chemical reactions, reaction order, half

life time, stage determining rate of reaction, consecutive reactions, reversible, parallel and

chain reactions. Molecularity of reactions, Lindemann mechanism. Temperature

dependence of rate constant, activation energy and pre-exponential factor. Collision

theory, active complex, transition state, entropy and enthalpy of activation.

Equilibrium in electrochemical systems: thermodynamical properties of ions and their

definition from ideal behaviour, Debye-Hückel’s theory of strong electrolytes,

conductivity of electrolytes. Electrode processes, reversible electrodes, electrochemical

calls, Nernst equation, electromotive force and its relation to thermodynamics of reaction

in cells, diffusion potential, membrane potential and ion-selective electrodes, electrode’s

polarization, corrosion. Physical chemistry of surface phenomena: surface tension,

adsorption at solid-gas, liquid-liquid and liquid-gas interface, adsorption isotherm, surface

active compounds, properties of surface films, characterization of disperse systems.

6. Method of evaluation: written examination

7. ECTS: 2.5

8. Semester: winter

9. Bibiography:

Calculation Classes

18

1. Course code: A307c

2. Type of course: calculation classes

3. Tutor: dr Danuta Góralczyk



course in the summer semester) Application of the thermodynamic laws in

thermochemical calculations. Application of the Clausius-Clapeyron equation to phase

transitions. Liquid-vapour equilibrium in ideal and real systems. Calsulation of the

equilibrium constant for reactions in gaseous phase, temperature dependence of

equilibrium constant. Chemical kinetics, methods of determination of the order of

reaction, effect of temperature on the reaction rate, Selected problems of molecular

spectroscopy. Specific and equivalent conductivity of solutions of electrolytes,

calculation of dissociation constants and solubility products on the basis of

conductance values. Thermodynamics of reactions in cells, calculation of the mean

ionic activity coefficients, equilibrium constant for redox reactions and solubility

products on the basis of EMF values. Activation and diffusion overpotentials.

Adsorption on the various interfaces, adsorption isotherms.

6. Method of evaluation: colloquia, oral answers

7. ECTS: 1.5

8. Semester: winter

9. Bibiography:

Laboratory

1. Course code: A307l


3. Tutor: dr Tadeusz Bieszczad



course in the summer semester) Thermochemistry. Partial volume. Gibb’s phase

rule. Distribution coefficient. Activity coefficient. Surface tension. Adsorption

isotherms. Viscosity of solutions. Molecular weight of polymers. Critical micelle

concentration. Chemical reactions rate. Catalytic reactions. Absorption spectroscopy.

Quenching of fluorescence. Electric dipole moments. Conductivity of electrolytes.

Ionic mobility. Transport numbers of ions. Galvanic cells. Electrolysis.

6. Method of evaluation: colloquia , exercises performance

19

7. ECTS: 3.5

8. Semester: winter

9. Bibiography:

Tutorials

1. Course code: A307k


3. Tutor: dr Joanna Kowal


Description of the course: (covers also course A407, which is a continuation of this

course in the summer semester) Basic principles of molecular spectroscopy. The first law of

thermodynamics, thermochemistry. The second and the third law of thermodynamics. Partial

molar quantities, chemical potential. Changes of state, the phase rule. Systems of one

component, the Clapeyron-Clausius equation. Phase equilibria in solutions, phase diagrams.

Thermodynamics of ideal and real solutions. Chemical equilibrium. Chemical kinetics, simple

and complex reactions, collision theory of reactions in gas phases, the transition-state theory.

Catalysis. Photochemistry. Electrochemistry, conductivity, transport numbers, the Debye-

Huckel theory, electrodes and electrochemical cells, kinetics of electrochemical reactions,

overpotential. Physical chemistry of surfaces, surface tension, adsorption isoterms. Electrical

phenomena at interfaces. Colloidal solutions.


6. ECTS: 1.5

7. Semester: winter

1. Bibiography: A. Atkins, Chemia fizyczna, PWN, Warszawa 2000

2. K. Pigoń, Z. Ruziewicz, Chemia fizyczna, PWN, Warszawa 2005

3. Praca zbiorowa Chemia fizyczna, PWN, Warszawa 1980

4. L. Sobczyk, A. Kisza, Chemia fizyczna dla przyrodników, PWN, Warszawa 1975

5. G.M. Barrow, Chemia fizyczna, PWN, Warszawa 1976

6. M. Sonntag, Koloidy, PWN, Warszawa 1982

7. J. Koryta, J. Dvořak, V. Bohačkowa, Elektrochemia, PWN, Warszawa 1980

8. T. Bieszczad, M. Boczar, D. Góralczyk, Ćwiczenia laboratoryjne z chemii fizycznej,

UJ, Kraków 1995

9. H. Buczak, D. Góralczyk, M. Jaskuła, J. Kosacz, Zbiór przykładów i zadań z chemii

fizycznej, UJ, Kraków 1995

10. A. Adamson, Zadania z chemii fizycznej, PWN, Warszawa 1978

20

-----------------------------------------------------------------------------------


2. Title of the course: Physical Chemistry

3. Tutor: prof. dr hab. Maria Paluch

4. Teaching objectives: Student should master the basic issues of physical chemistry and

gain the ability to apply laws describing physicochemical phenomena (on the basis of

mathematical laws). Student should also acquaint with various research methods and

maintenance of the equipment used in determination of various physicochemical

values. Gaining the ability of interpretation and description of the experimental results

and teamwork in the frame of students group



and classes(i)

Lecture


2. Type of course: Physical Chemistry

3. Tutor: prof. dr hab. Marek Wójcik, prof. dr hab. Maria Paluch


5. Description of the course: Continuation of the course A307

6. Method of evaluation: written examination

7. ECTS: 3.0

8. Semester: summer

9. Bibiography:

Calculation Classes

1. Course code: A407c

2. Type of course: calculation classes

3 Tutor: dr Danuta Góralczyk




7. ECTS: 1.5

21

8. Semester: summer

9. Bibiography:

Laboratory



3. Tutor: dr Tadeusz Bieszczad



6. Method of evaluation: colloquia , exercises performance

7. ECTS: 3.5

8. Semester: summer

9. Bibiography:

Tutorials



3. Tutor: dr Joanna Kowal




6. ECTS: 1.5

7. Semester: summer

1. Bibiography: A. Atkins, Chemia fizyczna, PWN, Warszawa 2000

2. K. Pigoń, Z. Ruziewicz, Chemia fizyczna, PWN, Warszawa 1980

3. Praca zbiorowa Chemia fizyczna, PWN, Warszawa 1980

4. L. Sobczyk, A. Kisza, Chemia fizyczna dla przyrodników, PWN, Warszawa 1975

5. G.M. Barrow, Chemia fizyczna, PWN, Warszawa 1976

6. M. Sonntag, Koloidy, PWN, Warszawa 1982

7. J. Koryta, J. Dvořak, V. Bohačkowa, Elektrochemia, PWN, Warszawa 1980

8. T. Bieszczad, M. Boczar, D. Góralczyk, Ćwiczenia laboratoryjne z chemii fizycznej,

UJ, Kraków 1995

9. H. Buczak, D. Góralczyk, M. Jaskuła, J. Kosacz, Zbiór przykładów i zadań z chemii

fizycznej, UJ, Kraków 1995

10. A. Adamson, Zadania z chemii fizycznej, PWN, Warszawa 1978

-----------------------------------------------------------------------------------

22

1.Course code: A 308 w

2.Title of the course: INORGANIC CHEMISTRY OF THE MAIN GROUP ELEMEMNTS.

3.Tutor: Dr hab Alicja Drelinkiewicz

4.Teaching objectives: the objective of this course is inorganic chemistry of the main group

elements



and classes(i)

Lecture

1. Course code: A 308 w


3. Tutor: Dr hab Alicja Drelinkiewicz



History of inorganic chemistry, genesis, discovery and distribution of the elements,

Mendeleev`s periodic table of elements, periodic properties of atoms, ionization energy,

electron affinity, covalent and ionic radii, electronegativity, effective nuclear charge, role of

valence and inner electrons, inert “s” pair effect, role of π-bonds, molecular π and δ orbitals

from p and d orbitals. General trends in main group chemistry, Hydrogen, isotopes, hydride

ion, hydrides, hydrogen bond, hydrogen bridges. The noble gases, compounds. Bonding in

molecules, formal charge, molecular orbitals, hybrid orbitals, VSEPR model, predicting the

structure and reactivity of molecules, electronegativity and atomic size effects, polar

molecules. The s-block metals,.characterization of s-block elements (1 and 2 group, chemical

properties, the crystalline structure of binary compounds,, ionic crystal lattice energy, p-block

elements (nonmetals, semiconductors, metals), the boron, carbon, nitrogen, oxygen and

halogens groups elements, general characterization and reactivity. Methods of recovery of

elements and their applications


7. ECTS: 2.5

8. Semester:winter

9. Bibiography:

A. Bielański, Podstawy Chemii Nierganicznej, PWN Warszawa 2002

23

F.A. Cotton, G. Wilkinson,Chemia Nierganiczna, podstawy PWN Warszawa 1995

P.A. Cox, Krótkie Wykłady Chemia Nierganiczna, PWN Warszawa 2003

T. Senkowski, Z. stasicka, Zarys Struktury Elektronowej Atomów i Cząsteczek, Skrypt

Uczelniany Uniwersyteteu Jagiellońskiego Kraków 1982

A.F. Williams, Chemia Nierganiczna, Podstawy Teoretyczne, PWN Warszawa 1986

D.F. Shriver, P.W. Atkins, C.H. Langford, Inorganic Chemistry, Oxford University Press,

Oxford 1994

N.N. Greenwood, A. Earnshaw, Chemsitry of the Elements, Pergamon Press, Oxford 1986

S.F.A. Kettle, Fizyczna Chemia Nierganiczna, PWN Warszawa 1999

Seminar

1. Course code: A 308

2. Type of course: S

3. Tutor:


5. Description of the course: extention of the problems presented in the lecture, formal

charge, molecular sahape in terms of molecular orbitals, VSEPR model, predicting a

shape of molecules

6. Method of evaluation: oral examination

7. ECTS: 1,5

8. Semester: winter

9. Bibiography: the same as for the lecture

-----------------------------------------------------------------------------------


2. Title of the course: Inorganic Chemistry

3. Tutor: prof.dr hab.Barbra Sieklucka


Introduce the discipline of inorganic chemistry. Presentation of the descriptive, systematic

chemistry of the s, p , d and f elements,. basic principles and elements of structure and

reactivity. Classes of inorganic compounds. Acquiring elucidation inorganic chemistry

problems skills. Developing laboratory skills. Introduction to the important techniques of

24

synthesis and study of the reactivity of inorganic and coordination compounds in the context

of inorganic experiments. Developing the skills of reporting the results and their

interpretation...



and classes(i)

Lecture


2. Type of course: lecture (w)

3. Tutor: Prof.dr hab.Barbara Sieklucka


5. Description of the course: Coordination chemistry. Inorganic chemistry of d-

and f-block metals. Coordination compounds. Constitution. Representative ligands

and nomenclature. Symmetry of molecules. Application of symmetry (polarity,

chirality,. symmetry of orbitals). Isomerism. Bonding and electronic structure. Crysta-

field theory. Ligand-field splitting parameters. Spectrochemical series of linands and

metal ions. Simple interpretation of electronic spectra. Weak-field and strong-field

limits. Magnetic properties. Jahn-Teller effect. Ligand-field theory. Thermodynamics

of complex formation: coordination equilibrium, the Irving-Williams series, Hard and

soft transition metals and ligands. Chelate and macrocyclic effects. Redox potentials,

Latimer diagrams. Self-assembly and metal-templated reactions. Mechanisms of

substitution and redox reactions. The d-block metals. Occurrence and recovery.

Oxidation states and Frost diagrams. Typical oxidation states and typical compounds.

Oxygen and oxygen compounds as the ligands. Aqua-, hydroxo- and oxo-complexes.

Mononuclear oxo complexes. Polyoxometalates. Metal-metal bonded compounds and

clusters. Metal sulfides and sulfide complexes. Noble metals. Group 12 metals. d-

metal organometallic chemistry. Electron counting and oxidation states. d-block

carbonyls. Anologs of carbonyls compounds – complexes with other π-acceptor

ligands (dinitrogen and nitrogen monoxide). Other organometallic compounds.

Metallocenes. The f-block metals.


7. ECTS: 3.0

8. Semester: summer

9. Bibiography:

25

1. A.Bielański, Podstawy Chemii nieorganicznej, Wyd.5, PWN 2003.

2. F.A.Cotton, G.Wilkinson, P.L.Gaus, Chemia nieorganiczna. Podstawy, PWN 1995.

3. S.F.A.Kettle, Fizyczna chemia nieorganiczna, PWN 1999.

4. D.F.Shriver, P.W.Atkins, T.L.Overton, J.P.Rourke, M.T.Weller, and F.A.Armstrong,

Inorganic Chemitry, 4th Ed., OUP 2006.

5. J.E.Huheey, E.A.Keiter, R.L.Keiter, Inorganic Chemistry. Principles of Structure and

Reactivity, 4th Ed., HarperCollins 1994.

Classes


2. Type of course: classes

3. Tutor: prof.dr hab.B.Sieklucka


5. Description of the course: in accordance with the lecture

6. Method of evaluation: written credit

7. ECTS: 1.5

8. Semester: summer

9. Bibiography:





Inorganic Chemitry, 4th Ed., OUP 2006.



Laboratory

10. Course code: A408 L


12. Tutor: dr R.Gryboś



Practical classes on selected topics of inorganic chemistry. Coordination equilibrium in

solution. Isomerism of coordination compounds and rate of isomerisation. Reactivity of

coordination compounds. Photochemical properties of coordination compounds. Redox

properties of inorganic compounds. Selected topics on solid state inorganic chemistry:

nonstoichiometric compounds, defects, and catalytic properties.

26

15. Method of evaluation: performed practical classes, written credit

16. ECTS: 7

17. Semester: summer

18. Bibiography:





Inorganic Chemistry, 4th Ed., OUP 2006.



-----------------------------------------------------------------------------------


2.Title of the course: Crystal Chemistry

3.Tutor: Prof. dr hab. Stanisław Hodorowicz

4.Teaching objectives:

The aim of the course is to acquaint the students with the basic knowledge of crystallography

including such problems as long-distance ordered phases – lattice theory – symmetry (point

groups and space groups); diffraction methods; principles of crystal structure analysis with the

special emphasis on crystal chemistry; crystal growth, real crystals; polymorphism; phase

transitions; introduction to crystal physics.



and classes(i)

Lecture


2. Type of course: lecture(w)

3. Tutor: Prof. dr hab. Stanisław Hodorowicz


27

5. Description of the course: Crystals as the ordered phases: the order range in various states of matter, mesomorphous

phases. Geometric crystallography: point symmetry (crystal families and crystal systems,

geometrical classes), lattice symmetry (Bravais systems, choice of the unit cell) and Bravais

lattices, space groups. Structural crystallography: diffraction methods in structure

determination (X-ray diffraction, neutron diffraction and electron diffraction) – kinematics

theory principles (Laue, Bragg and Ewald approach, factors determining the intensity of

diffracted beam), outline of X-ray structure analysis and application in chemistry. Crystal

genesis: crystallization processes (nucleation and growth), techniques of crystal growing, real

crystals (defects, quasi-crystals, modulated phases (commensurate and incommensurate)),

polymorphism, phase transitions. Crystal chemistry: classification of crystal structures, the

character of interatomic interactions (metallic, ionic, covalent, coordination, van der Waals

and hydrogen bonds). Crystal physics: physical property of crystal, tensorial description,

classes of general point groups, Neumann principle.

6. Method of evaluation: multi-choice test

7. ECTS: 3.0

8. Semester: summer

9. Bibliography:

1. J. Chojnacki., Elementy krystalografii chemicznej i fizycznej, III wyd. Warszawa PWN

1973

2. T. Penkala, Zarys krystalografii, III wyd. Warszawa PWN 1983

3. A.F. Wells, Strukturalna chemia nieorganiczna, Warszawa WNT 1993

4. Z. Bojarski, M. Gigla, K. Stróż, M. Surowiec, Krystalografia, podręcznik

wspomagany komputerowo, Warszawa PWN 1996

5. J.P. Glusker, K.N. Trueblood, Zarys rentgenografii kryształów, PWN Warszawa 1977

Tutorials


2. Type of course: tutorials(k)

3. Tutor: Prof. dr hab. Stanisław Hodorowicz together with assistants and PhD students


5. Description of the course: The subject area of the tutorials is consistent with the progress

of the lecture.

6. Method of evaluation: written tests

7. ECTS: 2.5

8. Semester: summer

10. Bibliography:

28

1. J. Chojnacki., Elementy krystalografii chemicznej i fizycznej, III wyd. Warszawa PWN

1973

2. Z. Bojarski, H. Habla, M. Surowiec, Materiały do nauki krystalografii, Warszawa

PWN 1986

3. Z. Bojarski, M. Gigla, K. Stróż, M. Surowiec, Krystalografia, podręcznik

wspomagany komputerowo, Warszawa PWN 1996

4. J.P. Glusker, K.N. Trueblood, Zarys rentgenografii kryształów, PWN Warszawa 1977

5. International Tables for Crystalography, Vol. A. Dordrecht: Kluwer Academic

Publishers, 1996

-----------------------------------------------------------------------------------


2. Title of the course: Analytical Chemistry II



- to make the students familiar with the main problems and methods of advanced analytical

chemistry,

- to transfer the general analytical knowledge and skills in the area complementary to this of

the subject “Analytical Chemistry I”,

- to equip students with the knowledge and skills they need in order to be able to do research

in analytical laboratories,

- to equip students with the knowledge and skills enabling them the employment in any units

of analytical profile

- Students are allowed to participate in the course on condition that they have fulfilled

requirements of ANALYTICAL CHEMISTRY I.



and classes(i)

Lecture






Instrumental analysis vs. classical analysis; classification of the methods of instrumental

analysis; essence and general rule of the methods of instrumental analysis; analytical

29

procedure; methods of the sample digestion; optimization of the analytical conditions;

analytical calibration; matrix and interference effects; calibration methods; absolute analysis;

advanced methods of the sample separation; automation of the analytical procedure;

qualitative instrumental analysis; quantitative trace analysis; two- and multicomponent

analysis; speciation analysis; local and surface analysis; estimation methods of accuracy and

precision of the analytical results; statistical analysis of the analytical results. Problems are

presented in respect of the applicability of the main methods of spectrometric,

electrochemical, chromatographic, thermometric.

6. Method of evaluation: multiple choice test examination. Students are allowed to sit

the examination on condition that they have fulfilled all requirements of the laboratory

7. ECTS: 8

8. Semester: 5

9. Bibiography:

1. W. Szczepaniak, Metody instrumentalne w analizie chemicznej, PWN, Warszawa 1996

2. J. Minczewski, Z. Marczenko, Chemia analityczna t. III, PWN, Warszawa 1985

3. A. Cygański, Metody spektroskopowe w chemii analitycznej, WNT Warszawa 1997

4. A. Cygański, Podstawy metod elektroanalitycznych, WNT Warszawa 1999

Laboratory



3. Tutor: dr Małgorzata Herman



Acquaintance with the most important theoretical and practical issues of instrumental analysis

e.g.: qualitative instrumental analysis, analytical calibration, examination and elimination of

interference effect, sample digestion, instrumental separation of sample components,

speciation analysis, flow injection analysis, application of instrumental techniques to the

titration end-point detection, analytical optimization. Familiarization with the selected

techniques of spectral, electrochemical and chromatographic analysis.

6. Method of evaluation: internal regulation considering written tests and reports

7. ECTS:

8. Semester: 5

9. Bibiography:

10. W. Szczepaniak, Metody instrumentalne w analizie chemicznej, PWN, Warszawa 1996

11. J. Minczewski, Z. Marczenko, Chemia analityczna t. III, PWN, Warszawa 1985

12. A. Cygański, Metody spektroskopowe w chemii analitycznej, WNT Warszawa 1997

13. A. Cygański, Podstawy metod elektroanalitycznych, WNT Warszawa 1999

30

-----------------------------------------------------------------------------------

1. Course code:

2. Title of the course: Informatics


4. Teaching objectives: Teaching students techniques of coding simple numerical

algorithms in C and Fortran and computing using freeware packages for symbolic and

numerical computing as well as packages for visualization of data



and classes(i)

laboratory

1. Course code:

2. Type of course:



5. Description of the course: Implementing numerical algorithms using programming

langauages: Fortran and C, using various options of the compilers. Program structure,

keywords, data types, commands, functions and subroutines. Using computer libraries.

Integrated packages for numerical (Scilab) and symbolic (Maple and Mathematica)

calculations 2- and 3D graphics using Gnuplot and Xmgr.

6. Method of evaluation: Three tests during the semester (X1-X3) and one final test X4

common for all students test końcowy (X4) – final score: X = 0.50*(X1 + X2 + X3) + 0.50*X4

7. ECTS: 2.0

8. Semester: winter

9. Bibiography:

1. Handbook: skrypt J. Mrozek, A. Eilmes, M. Pilch, Programowanie prostych algorytmów w

językach Fortran i C (in Polish) (to be published).

2. instruction manuals for Scilab, Gnuplot i Xmgrace packages

31

-----------------------------------------------------------------------------------


2. Title of the course: Theoretical chemistry (small course)

3. Tutor: Professor Piotr Petelenz

4. Teaching objectives: The student is expected: 1. to acquire the understanding of basic

mechanisms operative in the micro-world (with particular emphasis on the physics of

molecules) and of their relation to the macroscopic picture; 2. to learn the basic concepts of

quantum mechanics, quantum chemistry, statistical mechanics and statistical thermodynamics.



and classes(i)

Lecture

1.Course code: A513W

2.Type of course: lecture

3.Tutor: Professor Marek Pawlikowski, Professor Piotr Petelenz

4.Number of hours: 30

5.Description of the course: Elements of theoretical mechanics: Newtonian, Lagrangian

and Hamiltonian formalisms; generalized coordinates, normal vibrations. Classical

statistical mechanics: phase spaces, canonical ensemble (other ensembles briefly

mentioned), Maxwell-Boltzmann distribution, energy equipartition. Principles of quantum

mechanics: postulates (Hilbert space), stationary states, simple applications (particle in a

box, harmonic oscillator, rigid rotor, hydrogen atom).

6.Method of evaluation: written + oral exam (jointly, after completing A613)

7.ECTS: 5.0 (jointly with A613)

8.Semester: winter term

9.Bibiography:

Classes

10. Course code: A513n


32

12. Tutor: Professor Marek Pawlikowski, Professor Piotr Petelenz


14. Description of the course: According to the description of the lectures


16. ECTS: 2.5


18. Bibiography:

-----------------------------------------------------------------------------------

1. Course code: A613 (continuation of A513)

2. Title of the course: Theoretical chemistry (small course)

3. Tutor: Professor Piotr Petelenz

4. Teaching objectives: The student is expected: 1. to acquire the understanding of basic

mechanisms operative in the micro-world (with particular emphasis on the physics of

molecules) and of their relation to the macroscopic picture; 2. to learn the basic

concepts of quantum mechanics, quantum chemistry, statistical mechanics and

statistical thermodynamics.



and classes(i)

Lecture





5. Description of the course: Quantum statistical mechanics: indistinguishability of

quantum particles, ideal boson gas, ideal fermion gas (Pauli exclusion principle,

electrons in metals). Statistical thermodynamics: application of spectroscopic data.

Interacting many-electron systems: variational principle, Ritz method, secular

equations, one-electron approximation and self-consistent field theory, correlation

33

energy. Elements of the quantum-mechanical theory of molecules: Born-Oppenheimer

approximation and conditions of its applicability (potential energy surfaces, qualitative

description of the Jahn-Teller effect), MO method (localized and delocalized orbitals,

hybridization), SCF theory for molecules and limits of its applicability (basic

methodological principles of ab initio and semi-empirical calculations), configuration

interaction.

6. Method of evaluation: written + oral exam (jointly with A613)

7. ECTS: 5.0 (jointly with A513)


9. Bibiography:

Classes

1. Course code: A613N




5. Description of the course: According to the description of the lectures


7. ECTS: 1,5

8. Semester: summer

9. Bibiography:

-----------------------------------------------------------------------------------

1. Course code: A514 (first part; continued as A614)

2. Title of the course: Theoretical chemistry (“large course”?)

3. Tutor: prof dr hab. Roman Nalewajski

4. Teaching objectives: (for both parts)

Introduction of basic notions of theoretical mechanics, statistical physics and quantum

mechanics. Pointing out relationships between microscopic and macroscopic description.

Presentation of basic methods of quantum mechanics and their application tothe

description of structure and dynamics of chemical systems

34



and classes(i)

Lecture


2. Type of course: Lecture

3. Tutor: Marek Frankowicz

4. Number of hours:


Elements of theoretical mechanics: Newton, Lagrange and Hamilton formalisms. Elements of

theory of dynamical systems. Phase space and Liouville equaltion. Statistical ensembles:

microcanonical, canonical, grand canonical. Maxwell-Boltzmann distribution.

Thermodynamical fluctuations. Quantum statistics. Statistical thermodynamics: molecular

partition functions. Non-ideal gases. Simulation methods.


7. ECTS: 9.0 (together with A614)

8. Semester:winter

9. Bibliography:

1. H. Buchowski, Elementy termodynamiki statystycznej, WNT, Warszawa 1998

2. K. Gumiński, P.Petelenz, Elementy chemii teoretycznej, PWN, Warszawa 1989

3. A. Maczek, Statistical Thermodynamics, Oxford Chemistry Primers, Vol. 58, 1998

4. D. Stauffer, H.E.Stanley, Od Newtona do Mandelbrota, WNT, Warszawa 1996

Tutorials


2.Type of course: tutorials

3.Tutor:


5.Description of the course: same as lecture A514W

6.Method of evaluation:

7.ECTS: 2.5

8.Semester:winter

9.Bibliography:

1. H. Buchowski, Elementy termodynamiki statystycznej, WNT, Warszawa 1998

2. K. Gumiński, P.Petelenz, Elementy chemii teoretycznej, PWN, Warszawa 1989

35

3. A. Maczek, Statistical Thermodynamics, Oxford Chemistry Primers, Vol. 58, 1998

4. D. Stauffer, H.E.Stanley, Od Newtona do Mandelbrota, WNT, Warszawa 1996

-----------------------------------------------------------------------------------

1. Course code: A515, A615

2.Title of the course: PRINCIPLES OF THE CHEMICAL TECHNOLOGY

3.Tutor: Prof. Roman Dziembaj, PhD, DSc

4.Teaching objectives: The Principles of Chemical Technology is an integrated course

addressed to the students who already learned principles of inorganic, organic, physical

and analytical chemistry together with those of mathematics and physics. The aim of the

course is to provide students of university chemistry studies with minimum knowledge

of industrial chemistry as well as of application of chemistry in various technological

processes. Hence, rather large part of the course consists of laboratories and seminars.



and classes(i)

Lecture

1. Course code: A 515 W


3. Tutor: Prof. Roman Dziembaj, PhD, DSc

4. Number of hours: 15+15

5. Description of the course: Essentials of the industrial chemistry, related to the process

scale-up. Mass transport – physics of flow, divergence between real and ideal systems,

flow resistance, empirical parameters, technical solutions. Heat transport – types,

physical laws, real and ideal systems, empirical parameters, technical solutions. Theory

of similarity as a tool of process engineer, modelling of technological processes.

Kinetics of mass transport – diffusion processes, phenomena on the phase boundary

(adsorption, absorption, distillation, drying), porous systems, suspensions. Separation of

mixtures – unit operations. Chemical reactors – chemical kinetics in ideal and real

36

systems, types of chemical reactors, diffusion restraints, catalytic reactors. Detailed

description of some chosen groups of technological processes. Biotechnology –

enzymatic reactions, biological treatment of waste waters, renewable sources of energy.

Chemical techmology in environment protection and regeneration – recycling, wasteless

technologies.

6. Method of evaluation: examination

7. ECTS: 1,5+1,5

8. Semester: winter/summer

9. Bibiography: [1] E. Bortel, H. Koneczny, „Zarys technologii chemicznej”,[2] Wykład;

[3] R. Gayer, Z. Matysikowa, „Zbiór zadań z technologii Chemicznej”;

Laboratory

1. Course code: A 515 L

2.Type of course: laboratory

3.Tutor: dr Marian Piasecki, dr Andrzej Cichocki, dr Andrzej Kochanowski, dr Marcin

Molenda


Description of the course: Students conduct laboratory experiments on diffusion operations

(distillation, rectification), heat transport, hydrodynamics (flows, filtration sedimentation) and

polymerisation.

5.Method of evaluation: tests before lab, execution of experiment, report

6.ECTS: 3

7.Semester: summer

Bibiography: [1] E. Bortel, H. Koneczny, „Zarys technologii chemicznej”,[2] Wykład; [3] R.

Gayer, Z. Matysikowa, „Zbiór zadań z technologii Chemicznej”;

8.plus skrypt do cwiczen

Calculation classes

1. Course code: A 515 C

2.Type of course: calculation classes

3.Tutor: dr Marcin Molenda


5. Description of the course: Students solve problems on hydrodynamics (mass transport,

flow continuity, flow resistance, criteria numbers, sedimantation, filtration), theory of

37

similarity, heat transport (heat transport processes, heat exchangers) and diffusion operations

(drying, distillation, rectification).

6. Method of evaluation: tests

7. ECTS: 1,5

8. Semester: winter

9. Bibiography: [1] Wykład; [2] R. Gayer, Z. Matysikowa, „Zbiór zadań z technologii

Chemicznej”; [3] E. Bortel, H. Koneczny, „Zarys technologii chemicznej”.

-----------------------------------------------------------------------------------


2. Title of the course: Molecular Spectroscopy

3. Tutor: prof. dr hab. Leonard M. Proniewicz

4. jTeaching objectives: The course provides an introduction to fundamentals and

applications of molecular spectroscopy in chemistry. Students acquaint with principles

of molecular spectrometric methods, their theory, methodology, instrumentation and

applications in analysis and molecular structure determination. Students gain knowledge

and skills in practical aspects of molecular spectroscopy methods, among others things:

applications, advantages and disadvantages of particular methods in solution of typical

problems, techniques of sample preparation, operation of equipment and interpretation

of obtained results for simple molecules.


Lecture



3. Tutor: prof. dr hab. Marek Pawlikowski, prof. dr hab. Marek Wójcik, prof. dr

hab. Leonard M. Proniewicz


5. Description of the course: Group theory and background of molecular spectroscopy.

Symmetry operations, symmetry point groups, categories, discreet and continuous

groups, invariance of Hamiltonian, linear space, linear independence of vectors, basis,

operators and their unitary representations, reducible and irreducible representations,

38

characters, Great Orthogonality Theorem and its consequences, direct product of

representations, projection operators, crystal (Ligand) field theory. Fundamentals of

molecular spectroscopy: character of electromagnetic radiation and its features,

spectrum of electromagnetic radiation, forms of molecular energy, thermal radiation and

the Planck law, interaction between electromagnetic radiation and matter: absorption,

spontaneous and induced emissions (Einstein coefficients), transition probability and

selection rules, continuous and discreet spectra. Optical molecular spectroscopy:

rotational spectra (energy levels of the rigid rotor, selection rules, model of the non-rigid

rotor), vibrational-rotational and vibrational spectroscopy (infrared absorption, normal

and resonance Raman scattering, non-linear Raman effects – energy levels of harmonic

and anharmonic oscillators, permanent and induced dipole moments, polarizability and

polarizability of radiation, selection rules, categories of normal modes), UV-VIS

electronic, electronic-vibrational and electronic-vibrational-rotational spectra (the

Jabłoński diagram, selection rules, vibronic transitions – Franck-Condon principle),

time-resolved spectroscopy. Magnetic properties of matter (moment of momentum and

magnetic moment of electrons and nuclei, selection rules of the spin absorption, the

magnetic resonance), electron paramagnetic resonance EPR (paramagnetic centers, spin-

spin coupling, anisotropy of the spectral splitting factor) and nuclear magnetic resonance

NMR (the nucleus shielding, chemical shift, spin-spin coupling), EPR and NMR

relaxation processes. Electron spectroscopies: UV photoelectrons (UPS), Auger electron

(AES) and X-ray photoelectrons (XPS or ESCA). Mössbauer spectroscopy. Mass

spectrometry.


7. ECTS: 2.5

8. Semester: winter

Bibiography: A. Cotton, Teoria grup, PWN, Warszawa, 1973; P.W. Atkins, Molekularna

mechanika kwantowa, PWN, Warszawa, 1974; J.M. Janik (red.), Fizyka chemiczna, PWN,

Warszawa, 1989; J. Twardowski (red.), Biospektroskopia, PWN, Warszawa, 1989-1990, tom

1-5; J. Konarski, Teoretyczne podstawy spektroskopii molekularnej, PWN, Warszawa, 1991;

Z. Kęcki, Podstawy spektroskopii molekularnej, PWN, Warszawa, 1992; W. Demtröder,

Spektroskopia laserowa, PWN, Warszawa, 1993; K. Małek, L.M. Proniewicz (red.),

Zastosowanie metod spektroskopii i spektrometrii molekularnej w analizie strukturalnej,

39

Wydawnictwo UJ, Kraków, 2005; J. Sadlej, Spektroskopia Molekularna, WNT, Warszawa

2002; M. Pawlikowski, M. Pilch, Spektroskopia molekularna, skrypt (w przygotowaniu).

Tutorials


2.Type of course: tutorials

3.Tutor: prof. dr hab. Leonard M. Proniewicz


5.Description of the course: a) Group theory and its application in chemistry. Analysis of

vibrational (classification of vibrational states and normal coordinates, symmetry in

characteristic vibrations, determination of mode activity using the character tables) and

electronic spectra (construction of molecular orbitals and symmetry of poly-electron

functions). b) Infrared absorption (IR). c) Normal and resonance Raman scattering

spectroscopy (NR i RR). d) Electronic spectroscopy (UV-VIS). e) Electron

paramagnetic resonance spectroscopy (EPR). f) Nuclear magnetic resonance

spectroscopy (NMR). g) Mass spectrometry (MS). b-g.: apparatuses and their

advantages and disadvantages, techniques of sample preparation, measurement

techniques, standard compounds, structural analysis of simple and complex spectra,

qualitative and quantitative analysis of mixtures, analysis of the band shape, application

of the particular spectroscopic methods in various science disciplines.

6.Method of evaluation: the average grade of seven tutorial topics

7.ECTS: 5

8.Semester: winter

-----------------------------------------------------------------------------------


2.Title of the course: Molecular Spectroscopy

3.Tutor: prof. dr hab. Leonard M. Proniewicz

Teaching objectives: The aim of this course is the practical acquaintance with the basic

spectroscopic methods. Students gain knowledge and skills in practical aspects of molecular

40

spectroscopy methods, among others things: applications, advantages and disadvantages of

particular methods in solution of typical problems, techniques of sample preparation,

operation of equipment and interpretation of obtained results for simple molecules.


Laboratory



3. Tutor: prof. dr hab. Leonard M. Proniewicz


5. Description of the course: The lab includes an acquaintance with construction and

operation of various spectrometers, sample preparation, execution of measurements and

analyses of obtained spectra. Experiments are carried out for following spectroscopic

methods: Infrared, Electronic, Conventional and Resonance Raman Scattering, Electron

Spin Resonance, Nuclear Magnetic Resonance and Mass Spectrometry.

6. Method of evaluation: the average grade of seven lab topics

7. ECTS: 3.5

8. Semester: summer

Bibiography: K. Małek, L.M. Proniewicz (red.), Zastosowanie metod spektroskopii i

spektrometrii molekularnej w analizie strukturalnej, Wydawnictwo UJ, Kraków, 2005; A.

Cotton, Teoria grup, PWN, Warszawa, 1973; P.W. Atkins, Molekularna mechanika

kwantowa, PWN, Warszawa, 1974; J.M. Janik (red.), Fizyka chemiczna, PWN, Warszawa,

1989; J. Twardowski (red.), Biospektroskopia, PWN, Warszawa, 1989-1990, tom 1-5; J.

Konarski, Teoretyczne podstawy spektroskopii molekularnej, PWN, Warszawa, 1991; Z.

Kęcki, Podstawy spektroskopii molekularnej, PWN, Warszawa, 1992; W. Demtröder,

Spektroskopia laserowa, PWN, Warszawa, 1993; J. Sadlej, Spektroskopia Molekularna,

WNT, Warszawa 2002; M. Pawlikowski, M. Pilch, Spektroskopia molekularna, skrypt (w

przygotowaniu).

-----------------------------------------------------------------------------------

1. Course code: B501

41

2.Title of the course: Physical chemistry II

3.Tutor prof. dr hab. Jan Najbar

4.Teaching objectives: Basic physico-chemical models and their application for

interpretation of properties of solutions, macromolecules, surface layers and colloids.

Modern advances in instrumentation. Molecular aspects of dynamics of chemical

reactions and transport phenomena.



and classes(i)

Lecture

1. Course code: B501w


3. Tutor: : prof. dr hab. Maria Paluch, prof. dr hab. Jan Najbar, prof. dr hab.

Marek Wójcik


5. Description of the course: Macromolecules and colloids: molecular, kinetic and

electric properties; light scattering and rheology; thermodynamics of surface systems,

surface films; molecular interactions and interactions between colloid particles.

Tunneling, atomic force and near field fluorescence microscopies. Electric and magnetic

properties of matter: liquid state, dielectric polarization and relaxation, solvation of ions

and molecules, magnetic moments and magnetization. Kinetics and dynamics of

chemical reactions: medium control of the reaction rates, relaxation of excited electronic

states, laser techniques and their applications is chemistry, properties of transient

species, transition states in elementary chemical transformations, photochemical

processes; polymerization kinetics, catalysis and chemical oscillations. Conversion and

accumulation of energy. Sonochemistry and radiochemistry Thermodynamics of

irreversible processes and transport phenomena.

6. Method of evaluation: oral examination

7. ECTS: 2.5

8. Semester: winter

9. Bibiography:

1. A. Scheludko, Chemia koloidów, NT, Warszawa 1969

42

2. H. Sonntag, Koloidy, PWN, Warszawa 1982

3. A.W. Adamson, Chemia fizyczna powierzchni, PWN, Warszawa 1963

4. P.W. Atkins, Chemia fizyczna, Wydawnictwo Naukowe PWN, Warszawa 2000

P. Suppan, Chemia i światło, Wydawnictwo Naukowe PWN, Warszawa 1997

-----------------------------------------------------------------------------------

1. Course code: B 502

2.Title of the course: Crystal Chemistry II

3.Tutor: prof. dr hab. Barbara Oleksyn


The lectures aim at acquainting the students, who specialize in organic and biological

chemistry, with elements of X-ray structure analysis of organic single crystals, especially of

biologically active compounds. Special importance is assigned to the results of the crystal

structure analysis and their role in determination and understanding the three-dimensional

geometry of organic molecules and the structure – reactivity relationships. The students have

opportunity to get knowledge of using crystal data contained in the crystallographic and

chemical publications and in databases.



and classes(i)

Lecture

1. Course code: B 502 w


3. Tutor: prof. dr hab. Barbara Oleksyn



43

Aims of the crystal structure analysis of organic compounds, its application to determination

of the constitution, conformation, and absolute configuration of molecules and of their mutual

interactions. Reminding the principles of the description of crystal structure as ordered arrays

of molecules. Diffraction of X-rays on single crystals. Experimental methods of obtaining the

diffraction pattern and its interpretation: phase problem and methods of its solution.

Refinement of the obtained structure model. Information about molecular structure and

intermolecular interactions gained from the crystal structure analysis: estimation of precision

and accuracy of the obtained structure parameters. Examples of chemical problem solutions

using results of crystal structure analysis of single crystals (on the base of recent publications

in the field of organic chemistry).

6. Method of evaluation: writing test

7. ECTS: 1.5

8. Semester: winter

9. Bibłiography:

- J.P. Glusker, M. Lewis, M. Rossi, Crystal Structure Analysis for Chemists and

Biologists, VCH, New York 1994

- Selected papers published in Acta Crystallographica

-----------------------------------------------------------------------------------

Opis ogólny kursu:

(Cele dydaktyczne wypełnia się w stosunku do kursów obowiązkowych oznaczonych A i B)

1. Kod kursu: B503

2. Nazwa kursu: Crystallography II – introduction to X-ray structure analysis of proteins

3. Osoba prowadząca: dr hab. Krzysztof Lewiński

4. Cele dydaktyczne: To develop the competence of the student to understand and apply

results of protein crystallography.

Opis jednostki wchodzącej w skład kursu.

44

np. wykład (w), ćwiczenia(n), laboratorium (l), konwersatorium (k), seminarium (s),

ćwiczenia rachunkowe (c), wykład + ćwiczenia (i)

Wykład

1. Kod kursu: (powtórzyć poprzedni + odpowiednia literka)

2. Rodzaj zajęć: (z listy powyżej)

3. Prowadzący przedmiot:

4. Liczba godzin:

Tematyka zajęć: Protein crystallization: factors influencing solubility of proteins,

crystallization methods, seeding. X-ray radiation sources, synchrotrones, diffractometers, low

temperature experiments. Diffraction, relationship between the crystal structure and

diffraction pattern. Methods of solving crystal structure: haevy atom method, multiple

izomorphous replacement (MIR), multiwavelength anomalous diffraction (MAD), molecular

replacement (MR), direct methods. Interpretation of electron density maps. Refinement and

validation of protein structure, resolution, R and Rfree . Protein Data Bank.

5. Sposób zaliczenia: test

6. Liczba punktów ECTS: 2

7. Semestr: (zimowy, letni, zimowy/letni) summer

Literatura: J.P. Glusker, K.N. Trueblood, Zarys rentgenografii kryształów, PWN, 1997.;

D. Blow, Outline of Crystallography for Biologists, Oxford University Press, 2004.

-----------------------------------------------------------------------------------


2. Title of the course: CRYSTAL CHEMISTRY II (An Introduction to Crystal Structure

Analysis)

3. Tutor: dr hab. Katarzyna Stadnicka


Introducing students to the kinematics of X-ray diffraction on single crystals and to modern

experimental methods; methods of phase problem solution and structural parameters

refinement; discussion of the crystal structure analysis results such as the absolute structure,

geometry of chemical units (e.g. molecules) and their mutual packing in the 3D space,

conclusions concerning the type of interactions in the crystalline phases.

45



and classes(i)

Lecture

1. Course code: B504w


3. Tutor: dr hab. Katarzyna Stadnicka



The basis of the kinematics theory of X-ray diffraction by single crystals: atomic scattering

factor and structure factor; preliminary crystal data: unit cell parameters and lattice symmetry,

Laue class, space group, determination of the number of molecules in the unit cell; methods of

diffracted beams intensities collection – single crystal diffractometers; data processing; phase

problem solution: Patterson methods (e.g. heavy atom method), isomorphic replacement

methods, direct methods; structural parameters refinement: Fourier synthesis, difference

Fourier synthesis, non-linear least-squares method; criteria for structural model reliability:

absolute structure, features of the final difference Fourier map, residual indices; results of

crystal structure analysis: atomic bond lengths, the values of valence angles and torsion

angles, configuration and conformation of the molecules, mutual packing of the chemical

units and intermolecular interactions (directional, like hydrogen bonds, and non-directional).

6. Method of evaluation: test or answering 11 questions concerning a crystallographic

paper supplied

7. ECTS: 1.5

8. Semester: winter

9. Bibliography:

1. J.P. Glusker, K.N. Trueblood, Zarys rentgenografii kryształów, PWN, 1977;

2. P. Luger, Rentgenografia strukturalna monokryształów, PWN, 1989;

3. Fundamentals of Crystallography, Giacovazzo (ed.), Oxford University Press, 1992;

4. M.M. Woolfson, An Introduction to X-ray Crystallography, Cambridge University

Press, 1997.

-----------------------------------------------------------------------------------

46

Course code: B505

Lecture ECTS 1,5

Introduction to Structural Analysis of Polycrystalline Materials.

Lecturer: dr hab. Wieslaw Lasocha

Teaching aims:

Description of the steps of the Structural Analysis of Crystalline Materials, Introduction to

the phase problem, Fourier’s Map calculations and direct methods. Limits in the process of

structural analysis of polycrystalline materials, discussion of the importance of

crystallographic research in chemistry, catalysis, materials science.

Course description:

Determination of the conditions of powder diffraction measurement carried out for structural

analysis of polycrystalline materials. Basis of structural analysis of mono- and polycrystalline

materials: Phase problem, Patterson method, direct methods. Application of Rietveld method

to the refinement of a structure model. Analytical and metric aspects of the received results –

significance of structural analysis in chemistry of new materials.

Literature:

1.Z. Bojarski, M. Gigla, K. Stróż, M. Surowiec, Krystalografia, podręcznik wspomagany

komputerowo, PWN, Warszawa 1996

2.P. Luger, Rentgenografia strukturalna monokryształów, PWN Warszawa 1989

3.C. Giacovazzo, Direct Phasing in Crystalography, Oxford University Press, 1998

-----------------------------------------------------------------------------------

1.Course code: B606

2.Title of the course: Inorganic Chemistry II

3.Tutor: prof.dr hab.B.Sieklucka/ prof.dr hab.G.Stochel/ prof.dr hab./Z.Sojka


Presentation of contemporary inorganic chemistry in the field of coordination chemistry,

bioinorganic chemistry and chemistry of solid state by building upon the introductory and

descriptive material in Inorganic Chemistry course. Developing the skills of solving the

problems related to vigorous nature of contemporary inorganic chemistry.



and classes(i)

Lecture

47



3. Tutor: prof.dr hab.B.Sieklucka/ prof.dr hab.G.Stochel/ prof.dr hab./Z.Sojka



Electronic spectra and magnetism of coordination compounds. Magnetic molecular

materials. (10h) Spectroscopic terms. Ligand-field transitions: weak and strong-field limits,

tanabe-Sugano diagrams, the nepheloauxetic series. Charge-transfer transitions. Selection

rules and intensities.Electronic spectra of f-block metals. Magnetic properties of coordination

compounds.The different forms of bulk magnetism.Curie-Weiss law. Paramagnetism of

coordination compounds of d- and f-block metals. Ferro-, antiferro- and ferri-magnetism.

Mechanisms of spin coupling. Spin-crossover systems. Magnetic molecular materials.


7. ECTS: 3.0

8. Semester: summer

9. Bibiography:




4. D.F.Shriver, P.W.Atkins, T.L.Overton, J.P.Rourke, M.T.Weller, F.A.Armstrong, Inorganic

Chemistry, 4th Ed., OUP 2006.



6. S.J.Lippard, J.M.Berg, Podstawy chemii bionieorganicznej, PWN Warszawa 1998

7. J.Dereń, J. Haber, R. Pampuch, Chemia Ciała Stałego, PWN Warszawa 1977

8. A. F.Wells, Strukturalna Chemia Nieorganiczna, WNT, Warszawa 1993

9. R.Zallen, Fizyka Ciał Amorficznych, PWN, Warszawa 1994

10. S.Mrowec, Defekty Struktury i Dyfuzja Atomów w Kryształach Jonowych, PWN

Warszawa 1974

11. N.B.Hannay, Chemia Ciała Stałego, PWN Warszawa 1972

Classes



48

3. Tutor: prof.dr hab.Barbara Sieklucka/prof.dr hab.Grażyna Stochel/prof.dr hab.Zbigniew

Sojka


5. Description of the course: in accordance with the lecture

6. Method of evaluation: written credit

7. ECTS: 1.5

8. Semester: summer

9. Bibiography:




4. D.F.Shriver, P.W.Atkins, T.L.Overton, J.P.Rourke, M.T.Weller, F.A.Armstrong, Inorganic

Chemistry, 4th Ed., OUP 2006.



6. S.J.Lippard, J.M.Berg, Podstawy chemii bionieorganicznej, PWN Warszawa 1998

7. J.Dereń, J. Haber, R. Pampuch, Chemia Ciała Stałego, PWN Warszawa 1977

8. A. F.Wells, Strukturalna Chemia Nieorganiczna, WNT, Warszawa 1993

9. R.Zallen, Fizyka Ciał Amorficznych, PWN, Warszawa 1994

10. S.Mrowec, Defekty Struktury i Dyfuzja Atomów w Kryształach Jonowych, PWN

Warszawa 1974

11. N.B.Hannay, Chemia Ciała Stałego, PWN Warszawa 1972

-----------------------------------------------------------------------------------

5. Course code: B607W

6. Title of the course: 2ND PHYSICS

7. Tutor: Professor Andrzej Bałanda

8. Teaching objectives: Instructing of listeners with introduction to the theory of relativity

and with grounds of physics of smaller objects from the atom. The student should

acquire knowledge referring to basic information about elementary particles and

chosen issues of nuclear physics.

49


10. Course code: B607W


12. Tutor: Professor Andrzej Bałanda

13. Number of hours: 30 h

Description of the course: Relativity of the movement: relativity of the movement and

adding the speed, measurements of the speed of the light, simultaneity of events, the space-

time continuum, the Lorentz transformation and the transformation of the speed, the interval

and calibration curves, the dilatation of the time and the counterwork of the distance, twins'

paradox. Relativistic dynamics: relativistic speed, total energy, the association of energy and

speed. Accelerating of particles to big energy. The laboratory setup and the setup of the center

of the mass. Introduction to the physics of elementary particles. Methods of detection of

particles, detection of basic particles. Positronium and energy of his states, the description of

states by means of quantum numbers, classification of states. The model of quarks and the

classification light hadrons. The scattering and nuclear reactions. Elements of nuclear physics.

The measuring of parameters describing basic properties of atomic nucleus. The

semiempirical model of atomic nucleus. Elements of the shell and deformed models. Decays

of the atomic nucleus. Splitting of the atomic nucleus and obtaining nuclear energy.

Nucleosynthesis and her astrophisical aspects..

14. Method of evaluation: control of presence on the lecture; test

15. ECTS: 2.5

16. Semester: summer

17. Bibiography:

A.Bałanda, Fizyka dla chemików, skrypt UJ, Kraków 1990

D. Halliday, R. Resnick, J. Walker, Podstawy fizyki, in particular vol. 5, PWN, Warszawa

2003

A.K.Wróblewski, J.A.Zakrzewski, Wstęp do fizyki, t.1, PWN Warszawa 1976 and subsequent

editions

V. Acosta, C.L.Cowan, B.J. Graham, Podstawy fizyki współczesnej, PWN Warszawa 1987

and subsequent editions

A. Bałanda, Statystyczne metody opracowań pomiarów, PWSZ Nowy Sącz, 2002

50

-----------------------------------------------------------------------------------


2. Title of the course: Advanced methods in physical chemistry

3. Tutor dr hab. Marek Mac

4. Teaching objectives: To get acquainted with the modern methods applied in physical

chemistry. Development of learning in the student team- arrangement of the

experimental plan, discussion of the strategy of the realization of the project, carrying

out the experiment, discussion and preparation of the appropriate form of the results

presentation. Usage of the computer techniques in calculations and presentation of

experimental results.



and classes(i)

Laboratory

1. Course code: B608l


3. Tutor: : dr hab. Marek Mac


5. Description of the course: Method of the range: estimation of the report and results

presentation Equilibrium vapour-liquid in two-component systems, estimation of the

activity coefficients from the solubility measurements, estimation of the critical micelle

concentration (CMC) of the ionic surfactants in the presence of strong electrolyte,

influence of electric polarization on the course of chemical reaction, Broensted salt effect,

estimation of the transport number of ions in electrolyte, nanovoltaic sun battery, factor

analysis of spectroscopic data.

6. Method of evaluation: evaluation of the report and of the oral presentation of results

7. ECTS: 3.0

8. Semester: summer

Bibiography: P.W. Atkins, Chemia fizyczna, PWN, Warszawa 2000

51

-----------------------------------------------------------------------------------

Course code: Ca01

Title of the course: Flow Analysis

Tutor: Prof. dr hab. Paweł Kościelniak


a) To transform knowledge from the field of the flow analysis with special attention to its

application aspects.

b) To indicate the place and role of the flow analysis in analytical chemistry.


Lecture

Course code: Ca01w

Type of course: lecture

Tutor: Prof. dr hab. Paweł Kościelniak

Number of hours: 15

Description of the course: Origin, review, characteristics and comparison of techniques in

flow analysis. Design and operation mode of flow systems. Theoretical basis, basic features

and parameters of flow analysis (with special attention to flow injection analysis). Control of

chemical reactions. Dilution methods. Methods of the sample preconcentration and

separation. Calibration procedures. Realization of multicomponent analysis and speciation

analysis. Application of chemometrics methods to data analysis. Tendencies and perspectives

of the flow analysis development.

Method of evaluation: examination

ECTS: 1,5

Semester: winter

Bibiography:

a) B. Karlberg, G.E. Pacey, „Wstrzykowa analiza przepływowa dla praktyków”, WNT,

Warsaw 1994.

52

b) M. Trojanowicz, „Automatyzacja w analizie chemicznej”, chapter 4., WNT, Warsaw

1992.

-----------------------------------------------------------------------------------

Course code: Ca03

Title of the course: Analytical Chemistry III

Tutor: prof. dr hab. Andrzej Parczewski




and classes(i)

Lecture

Course code: Ca03

Type of course: lecture (w)


Number of hours: 45

Description of the course:

Classification of the instrumental methods of analysis; atomic absorption spectrometry;

atomic emission spectrometry; basic concepts and definitions and the methods of analytical

data handling; molecular spectrometry (UV/VIS/IR); X-rays spectrometry; electroanalytical

methods of analysis; potentiometry, voltametric techniques, amperometric titrations,

electroseparation, coulometry, conductance methods; mass spectrometry; radiochemical

methods; thermal analysis. Separation methods: electrophoresis, gas and liquid

chromatography, thin layer chromatography. Other selected problems and methods, e.g. :

local and distribution analysis, immunometric methods, genetic fingerprint (DNA) method.

Analytical process: problem formulation, sampling, sample preparation for instrumental

measurement, calibration and data handling, formulation of conclusions concerning the

problem stated. Introduction to automated analysis and process analysis. Selected applications

of instrumental methods of analysis: examples and problems.


ECTS: 4.5

Semester: winter

Bibiography:

-----------------------------------------------------------------------------------

53

Course code: Ca04

Title of the course: Chemometric and biometric methods





and classes(i)

Lecture

Course code: Ca04 w



Number of hours: 30


Statistical treatment of experimental data. Introduction to mathematical modeling of

processes. Empirical modeling. Linear models: determination of the model parameters and the

corresponding variance-covariance matrix, model adequacy testing. Nonlinear models. Design

of experiments. Optimization methods: single factor, gradient, simplex, Monte Carlo, Genetic

Algorithm. Statistical treatment of multidimensional data. Introduction to the Principal

Component Analysis (PCA) and Factor Analysis (FA), Cluster Analysis (CA), Pattern

Recognition methods, Artificial Neural Networks (ANN), and other chemometric methods.

Method of evaluation: credit

ECTS: 3.0

Semester: winter

Bibiography:

-----------------------------------------------------------------------------------

Course code: Ca06

Title of the course: CHEMICAL INVESTIGATION IN CRIMINALISTICS AND

TOXICOLOGY

Tutor: Staff of the Institute of Forensic Research and of FCJU


54



and classes(i)

Laboratory

Course code: Ca06

Type of course: laboratory (l)

Tutor: Staff of the Institute of Forensic Research and of FCJU

Number of hours: 90hrs

Description of the course: Ethyl alcohol – selected toxicological and analytical aspects;

Intoxicated and psychotropic drugs in toxicological analysis; Application of the GC/MS

method to analysis of drugs in biological material; Determination of inorganic poisons in

biological material; Examination of car paints; Examination of fibers; Examination of gun

shot residues; Examination of inks; Chemical analysis of inks by capillary electrophoresis;

Analysis of biological material – simultaneous determination of selenium and arsenic by

atomic fluorescence spectrometry; Profiling of narcotics by thin-layer chromatography – part

I: LLC extraction; Profiling of narcotics by thin-layer chromatography – part I: SPE

extraction.

Method of evaluation:

ECTS: 10.5

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Ca08

Title of the course: Ecotoxicology and environmental toxicology

Tutor: Prof. dr hab. Wojciech Piekoszewski




and classes(i)

55

Lecture

Course code: Ca08w


Tutor: Prof. dr hab. Wojciech Piekoszewski

Number of hours: 30

Description of the course: Ecotoxicology as a scientific discipline. Contamination of natural

environment. Fate of xenobiotics in the environment – atmosphere, water and soil.

Bioaccumulation. Evaluation of the influence on the natural environment. Methods used in

study the evaluation of the influence on the natural environment. Characteristic of selected

contaminations of the natural environment.

Evaluation of the effect of environmental contaminations on human organism. Methods of the

evaluation of the exposure to the air pollutions. Threshold Limit Values. Evaluation of

carcinogenic risk in humane. Evaluation of the exposure to the mixture of xenobiotics.

Biomarkers of exposure, effect and sensitivity. Risk assessment.

Method of evaluation: test exam

ECTS: 2

Semester: summer

Bibliography: C.H.Walker, S.P.Hopkin, R.M.Sibly: Podstawy ekotoksykologii

Curtis D. Klassen: Casatett & Doull’s Toxicology. The Basic Science of Poisons. 6th

edition.

McGrow Professional, 2001.

-----------------------------------------------------------------------------------

Course code: Cb01

Title of the course: Modern methods of electroanalysis applied in chemistry and

environmental protection

Tutor: dr Tadeusz Bieszczad

Teaching objectives: does not concern



and classes(i)

56

Lecture

Course code: Cb01w


Tutor: : dr Tadeusz Bieszczad

Number of hours: 30 hours

Description of the course: Classification of electroanalytical methods, electrolytic

conductivity, molar and equivalent conductivity, ionic mobility, conductometric techniques –

classic, conductometry of the small and high frequency, conductometric titration, application

of conductometric methods, solution equilibrium, activity, activity coefficient, solvation and

association of ions, solid state-solution equilibrium, electrochemical potential, Nernst eqation,

mixed potential, ion selective electrode potential, Nikolski equation, the measurement of

e.m.f., ion selective electrodes – division, application, potentiometric methods of analysis,

electrolysis laws, electrode processes, polarization and overpotential, electrogravimetric

analysis – classic and potential-controlled electrogravimetry, inner electrogravimetry,

coulometry at controlled potential and controlled current, coulometric titration, direct (DCP)

and alternating (ACP) current polarography, squere wave polarography (SWP), normal (NPP)

and differential (DPP) pulse polarography, lineat sweep voltammetry (LSV), cyclic

voltammetry, stripping voltametry (SV), potentiometry stripping analysis (PSA), monitoring

systems in environment protection.

Method of evaluation: credits or examination

ECTS: 3.0

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cb02

Title of the course: Statistical methods applied to analysis chemical experiment data

Tutor dr Marek Boczar



57


and classes(i)

Lecture

Course code: Cb02w


Tutor: : dr Marek Boczar


Description of the course: Random variable. Distributions of discrete random variables: two-

point distribution, binomial distribution, Pascal’s distribution, Poisson distribution.

Continuous random variable distributions: uniform distribution, normal distribution, truncated

normal distribution, exponential distribution. Estimation of parameters of random variable

distribution. Point estimation. Estimation of expected value: sample arithmetic mean, order

statistic. Estimation of variance and standard deviation from sample. Confidence interval

estimation: general principles of determination of confidence intervals, confidence interval for

the expected value, confidence interval for variance and standard deviation, confidence

interval for madian. Testing statistical hypotheses. Verification of the significance of the

difference between the expected values of two random variables. Verification of the

difference between the variance of the random variable and the determined value. Analysis of

variance. Correlation and regression. Correlation: model and its verification, measures of

dependence, correlation coefficient assessment, study of significance of correlation.

Regression: variable, function, regression. The least squares method, the minimum of the

multivariable function. Linear regression models by the least square method: defining

approximation error, regression of y with regard to x, orthogonal regression, regression of x

with regard to y, weighted regression. Residual and its distribution. Testing significance of

regression coefficient (slope) and intercept. Confidence intervals determination in regression

analysis. Tolerance region for values off the regression line.


ECTS: 1.5

Semester: winter

Bibiography:

1. J.B.Czermiński, A.Iwasiewicz, Z.Paszek, A.Sikorski, Metody statystyczne dla chemików,

PWN Warszawa 1992

2. S.Brandt, Analiza danych, PWN Warszawa 1998

58

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Course code: Cb03

Title of the course: Physical Chemistry of Nanostructured Surfaces

Tutor: dr Beata Korchowiec




and classes(i)

Lecture

Course code: Cb03w


Tutor: dr Beata Korchowiec


Description of the course: Thermodynamics of surfaces. Contact angle and surface tension:

their relation to wetting and spreading phenomena. The Laplace and Young equations.

Cohesion, adhesion and spreading. Methods of surface tension and contact angle

measurement. Formation and stability of insoluble monolayers; surface pressure.

Microstructural phases in monolayers; gaseous, liquid and condensed films. Surface equation

of state. Some properties of mixed Langmuir monolayers; ideal mixtures. The Gibbs energy

of mixing. Experimental measurement of film pressure. Langmuir film balance. Applications

of monolayers and monolayer concepts. Surfactant nanolayers: Langmuir-Blodgett films.

Adsorption from solution. The Gibbs equation: two-component systems. Interactions in mixed

adsorption monolayers. Thermodynamics of adsorption process. Electrical properties of the

free surface of aqueous solutions. Critical micelle concentration and the thermodynamics of

micelization. Solubilization.

Method of evaluation: exam

ECTS: 3.0

Semester: summer

Bibiography:

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59

Course code: Cb07

Title of the course: Applied Electrochemistry

Tutor: apl. prof. dr hab. Marian Jaskuła




and classes(i)

Lecture

Course code: Cb07w


Tutor: : apl. prof. dr hab. Marian Jaskuła



• electrochemical power sources: barreries, accumulators, fuel cells. Possibilities and

limitations of their use,

• electrochemical corrosion and methods of protection,

• some aspects of production of new materials,

• the electrokinetic effects and their application in environment protection (waste water

purification, removing heavy metals from soil),

• electrosynthesis of organic compounds,

• conducting polymers and electropolymerization,

• electrochemistry in chemical analysis and in scientific research


ECTS: 1.5

Semester: winter

Bibiography:

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60

Course code: Cb08

Title of the course: Electrochemistry of Electrolyte Solutions





and classes(i)

Lecture

Course code: Cb08w


Tutor: : apl. prof. dr hab. Marian Jaskuła


Description of the course: Molecular interactions, structure of fluid, ion-solvent interactions,

association and incomplete dissociation of strong electrolytes, theories of ionic interations,

theory of galvanic cells, electrochemistry in non-aqueous solutions


ECTS: 3.0

Semester: winter

Bibiography:

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Course code: Cb09

Title of the course: Advanced Electrochemistry




61


and classes(i)

Lecture

Course code: Cb09w





• The thermodynamics of concentrated electrolyte solutions

• The transport processes in electrolyte solutions

• The double electrical layer

• The physicochemical processes at the phase interface: adsorption,

• charge transfer

• The electrochemistry of non aqueous solutions and fused salts


ECTS: 1.5

Semester: winter

Bibiography:

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Course code: Cb10

Title of the course: Introduction to polymer spectroscopy and photochemistry

Tutor dr Joanna Kowal




and classes(i)

Lecture

Course code: Cb10w

62

Type of course: lectur

Tutor: : dr Joanna Kowal


Description of the course: Light absorption, radiative and non-radiative transitions in

organic molecules. Kinetics of the deactivation of excited states. Formation of excimers and

exciplexes. Energy transfer. Absorption and emission characteristics of polymers. Excimers in

polymer systems, energy transfer and migration in polymers, antenna effect. Photodegradation

and photooxidation of polymers. Photosensitized degradation. Photostabilization of polymers.

Method of evaluation: written exam

ECTS: 1.5

Semester:

Bibiography:

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Course code: Cb11

Title of the course: Physicochemistry of polymeric systems

Tutor: dr Szczepan Zapotoczny, prof. dr hab. Maria Nowakowska




and classes(i)

Lecture

Course code: Cb11w


Tutor: : dr Szczepan Zapotoczny, prof. dr hab. Maria Nowakowska


Description of the course: Polymer structure, conformation, configuration. Physicochemical

methods for polymer studies: end-group analysis, osmometry, light scattering, viscometry,

sedimentation, spectroscopies. Phase transitions in polymeric systems, polymer crystals.

Correlation between structures of polymers and their physicochemical properties.


63

ECTS: 1.5

Semester: summer

Bibiography:

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Course code: Cb12

Title of the course: Electron and proton transfer processes

Tutor dr hab. Marek Mac




and classes(i)

Lecture

Course code: Cb12w


Tutor: : dr hab. Marek Mac


Description of the course: Aim of the lecture is to describe the fundamental photophysical

processes such as electron and proton transfer in monomolecular and polymolecular systems.

The following topics will be addressed: Marcus theory for electron transfer and its extensions

and applications for the description of the photophysical and photochemical behaviours in

model systems and in the systems having potential practical applications. Monomolecular and

bimolecular electron transfer processes: exciplexes, TICT states, excited singlet and triplet

quenching, CT fluorescence band-shape analysis. Photochemical reactions, induced by the

electron transfer processes: photosensibilized isomerisation processes, photodechlorination of

9,10-dichloranthracene. Solvent and salt effects on electron transfer processes. Influence of

temperature on the electron transfer rate constant.


ECTS: 1.5

Semester: summer

Bibiography:

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64

Course code: Cb13

Title of the course: Molecular photochemistry and photophysics

Tutor prof. dr hab. Jan Najbar

Teaching objectives:. Does not concern



and classes(i)

Lecture

Course code: Cb13w


Tutor: : prof. dr hab. Jan Najbar


Description of the course Experimental methods in photochemistry: lifetimes of excited

states and quantum yields of photophysical and photochemical processes. Potential energy

functions for the ground and electronic excited states of organic molecules. Fluorescence,

phosforescence and radiationless transitions in aromatic hydrocarbons, carbonyl and

azaaromatic molecules. Properties of the electronically excited molecules: charge

distributions, proton affinities, reduction and oxidation potentials. Heavy atom effects on

photophysical processes. The role of the conical intersections in the relaxation of the excited

states. Monomolecular and bimolecular photochemical processes in solutions. Kinetics and

dynamics of the fast multistep photochemical and photophysical processes. Proton and

electron transfer, exciplex formation. Photoisomerization processes.

Method of evaluation: examination or credit

ECTS: 1.5

Semester: winter

Bibiography:

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65

Course code: Cb16

Title of the course: Photochemistry in microheterogenic systems

Tutor: prof. dr hab. Maria Nowakowska, dr Krzysztof Szczubiałka




and classes(i)

Lecture

Course code: Cb16w


Tutor: prof. dr hab. Maria Nowakowska, dr Krzysztof Szczubiałka



1. Types of microheterogeneous systems.

2. Basic photophysical and photochemical terms

3. Photophysics and photochemistry in:

- micelles

- reversed micelles

- microemulsions

- biological microphases

- monolayers

- liquid crystalline solvents

- polymers and polyelectrolytes

- ion exchange resins

4. Photoprocesses in molecular inclusion complexes (cyclodextrins, zeolites, crown

ethers, cryptands)

5. Photochemistry of molecules adsorbed on the surfaces of inorganic oxides and

colloids.


ECTS: 1.5

Semester: winter

66

Bibiography:

1. ------------------------------------------------------------------

-----------------

Seminar: Physicochemical bases of nanotechnology

Course code: Cb17

Type of course: seminar

Tutor: Professor Maria Nowakowska

Number of hours: 60

Description of the course: Synthesis and properties of nanostructural objects. Self-

assembly and controlled synthesis/modification. Supramolecular systems. Surface

modification and chemical pattering. Experimental methods for studies of nanostructurs.

Nanomaterials. Materials for nanotechnology and environmental protection. Polymers,

semiconductors and hybrids. Biomaterials and their applications in medicine, pharmacy and

biology. Bioinspiration.

Method of evaluation: completion based on the presentation and participation in discussion.

ECTS: 6

Semester: winter/summer

Literature : 1. Regis ED, Nanotechnologia, Prószyński i S-ka, Warszawa, 2001

2. Ozin G., Arsenault, A., “nanochemistry. Approach to Nanomaterials“,

RSC Publishing, Cambridge, 2006

3. Selected papers from scientific journals

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Course code: Cb18

Title of the course: Physical chemistry of disperse systems

Tutor: : prof. dr hab. Maria Paluch



67


and classes(i)

Lecture

Course code: Cb18w




Description of the course: Classification of colloid systems and their occurrence and

preparation. General properties of colloid systems (Brownian motions, diffusion, osmotic

pressure, sedimentation), optical properties, electrochemistry of interfaces, structure of the

electrical double layer, interfacial potentials, electrocapillary curve, electrokinatic phenomena

(electrophoresis, electroosmosis, streaming, potential, Dorn-effect), rheology properties

(viscosity, plasticity, thixotropy and dilatancy), foams, emulsions, suspensions, water

properties in thin films.

Method of evaluation: written test

ECTS: 3.0

Semester: winter

Bibiography:

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Course code: Cb19

Title of the course: Interactions in disperse systems





and classes(i)

Lecture

Course code: Cb19w


Tutor: : prof. dr hab. Maria Paluch (head)


68

Description of the course: Electrostatic interactions, charge and potential distribution

between two piano-parallel and spherical identical electric double layers. Free energy and

repulsion potential at charging diffusion double layers. Dispersion interactions between plano-

parallel plates and spherical particles micro- and macroscopic theory, experimental

determination of Hameker constant.

The total interaction between colloidal particles, flocculation criterion. Electrostatic and

dispersion interactions in heterosystems, potential and charge distribution and free energy in

electric double layers, attracting and repulsing dispersion actions, the total interactions and

criteria of heterocoagulation.

Method of evaluation: test

ECTS: 1.5

Semester: winter

Bibiography:

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Course code: Cb20

Title of the course: Factor Analysis in Chemistry

Tutor: dr Andrzej Turek




and classes(i)

Lecture

Course code: Cb20w




Description of the course: Diverse aspects of the factor analysis methods applied in

chemistry are addressed, in particular the techniques allowing to identify and resolve the pure

component spectra of the complex reaction products formed in the course of photochemical

transformations. The covered theoretical topics and practical applications include Target

Factor Analysis (TFA), Evolutionary Rank Analysis (ERA), non-factor algorithms of spectral

analysis, conventional and generalized Rank Annihilation Factor Analyses (RAFA and

69

GRAFA), a comparison between physically constrained and unconstrained methods of factor

analysis, the regression models for two-way two-block data analysis (Muliple Linear

Regression (MLR), Principal Component Regression (PCR), and Partial Least Squares (PLS)

regression), Non-quantitative and Quantitative Structure-Activity Relationships (SAR and

QSAR), Multimode Factor Analysis (3DRAFA, Alternating Least Squares Multiple

Component Regression (ALS-MCR), the Tucker models and Parallel Factor Analysis

(PARAFAC)). All the discussed techniques are illustrated with many practical examples.


ECTS: 1.5

Semester: summer

Bibiography:

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Course code: Cb21

Title of the course: Selected problems of molecular spectroscopy

Tutor: Prof. dr hab. Marek Wójcik




and classes(i)

Lecture

Course code: Cb21w,s

Type of course: lecture + seminar

Tutor: : Prof. dr hab. Marek Wójcik


Description of the course: Lecture and analysis of selected original spectroscopic

publications presented by participants of the course.

Foundations of spectroscopy: characteristics of electromagnetic radiation, division of

absorption spectroscopy, intensity of bands, band shape and its description, problems related

to presence of background. Experimental methods in absorption spectroscopy: scheme of

absorption spectrophotometer, sources of radiation, monochromators - resolving power,

detectors and recorders, preparation of samples. Electronic spectroscopy: molecular terms,

70

correlation diagrams, classification and characteristic of absorption transitions in electronic

spectra, chromophores and auxochromes, batho- and hypsochromic shifts, hyper- and

hypochrome effects, spectra of saturated compounds, effect of conjugation on electronic

spectra, theory of crystal field - spectra of complexes of transition metals, effect of

intramolecular and intermolecular perturbations on electronic spectra, applications of

electronic spectroscopy - purity control, identification and determination of structure, cis-trans

isomerization, tautomerization, determination of molecular mass, spectroscopic titration,

chemical kinetics. Vibrational spectroscopy: harmonic and anharmonic oscillator, normal

vibrations of molecules, Wilson method of normal modes, characteristic frequencies of

vibrations, practical interpretation of infrared spectra, effects of intramolecular and

intermolecular perturbations on infrared spectra, adiabatic approximation - Franck-Condon

rule, linear crystal, polymers, phonons. Rotational spectroscopy: rotational energy levels,

determination of molecular conformation from rotational spectra, interaction of rotations and

vibrations. Electronic spectroscopy of selected systems. Vibrational spectroscopy of selected

systems. Rotational spectroscopy of selected systems.

Method of evaluation: colloquium or examination

ECTS: 3.0

Semester: winter

Bibiography:

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Course code: Cb22

Title of the course: : Spectroscopy of hydrogen-bonded systems

Tutor: Prof. dr hab. Marek Wójcik




and classes(i)

Lecture

Course code: Cb22w


Tutor: : Prof. dr hab. Marek Wójcik

71


Description of the course: Historic outline. Occurrence and importance of hydrogen bonds.

Definition of hydrogen bond. Geometric and energetic criteria. Intra and intermolecular

hydrogen bonds. Properties of hydrogen-bonded systems. Infrared spectra of hydrogen bonds.

Theories of infrared spectra of isolated hydrogen bonds and of systems of interacting

hydrogen bonds. Fermi resonance and its occurrence in spectra of strong hydrogen bonds.

Model potentials for hydrogen bonds and their application for explanation of spectral and

structural correlations in hydrogen-bonded systems. Proton tunneling in systems with

hydrogen bonds. Theories of multidimensional proton tunneling. Intra and intermolecular

potentials for water. Spectra of hydrogen bonds in ices and aqueous ionic solutions.

Theoretical simulation of spectra of ices and aqueous solutions with application of molecular

dynamics method.


ECTS: 3.0

Semester: winter

Bibiography:

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Course code: Cb24

Title of the course: Laser spectroscopy and ultrafast processes in chemistry

Tutor: dr Przemysław Kolek, dr Sebastian Leśniewski




and classes(i)

Lecture

Course code: Cb24W


Tutor: dr Przemysław Kolek, dr Sebastian Leśniewski

Number of hours: 30


The lecture is an introduction to laser spectroscopy.

72

1.Introduction. Absorption and emission of electromagnetic radiation. Width and shape of

spectral profiles, spectral broadening..

2. Basics of lasers. Population inversion in active medium, pumping methods. Resonator

types, longitudinal and transverse modes of emitted laser radiation. Methods of selecting

spectral bands and modes. Methods of producing narrow spectral bands. Spectral and spacial

hole burning, mode switching, causes of unstable laser action.

3. Overview of lasers working in the range from microwaves to vacuum UV. Fixed

wavelength lasers and tunable lasers.

5. High-sensitivity methods of laser spectroscopy. Fluorescence excitation spectroscopy.

Photoacoustic spectroscopy. Intracavity absorption and cavity ring-down spectroscopy.

Ionization and optogalvanic spectroscopy. Multiphoton spectroscopy.

6. Doppler-free high-resolution spectroscopy. Spectroscopy in molecular beams,

spectroscopy in fast ion beams. Ion trapping. Saturation spectroscopy. Polarization

spectroscopy. Nonlinear phenomena. Optical trapping of atoms and optical cooling.

7. Time-resolved laser spectroscopy. Investigation of transient species in photochemical

reactions. Spectroscopic methods used for determining the kinetics of photochemical and

photophysical processes.

8. Ultrafast processes in chemistry. Generation of ultrashort laser pulses. Mode locking. The

titanium-sapphire laser as an example of vibronic lasers. Solvation dynamics, electron

solvation, photoisomerization, ultrafast electron and proton processes. Rotational and

vibrational relaxation. Photon echo.


ECTS: 30

Semester: summer

Bibiography:

1. H. Abramczyk, Wstęp do spektroskopii laserowej, Wydawnictwo Naukowe PWN,

Warszawa, 2000.

2. W. Demtroeder, Spektroskopia laserowa, Wydawnictwo Naukowe PWN, Warszawa, 1993.

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Course code: Cb27

Title of the course: Photopolymerization and photocrosslinking

Tutor: dr Mariusz Kępczyński




and classes(i)

73

Lecture

Course code: Cb27w

Type of course: w

Tutor: dr Mariusz Kępczyński


Description of the course: Introduction to the kinetics of photochemical processes.

Difference between polymerization and photopolymerization. Types of photoinitiators.

Kinetics of photopolymerization. PLP- pulse laser polymerization. Application of

photopolymerization. Photocrosslinking. Types of photoresists. Photolithography.

Application of photolithography in microelectronics. Photochromic processes and its

applications. Photochromism in the polymer systems. Photochemical reactors.

Method of evaluation: essay

ECTS: 1.5

Semester:

Bibiography:

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Lecture: Surface active compounds in nanotechnology

Course code: Cb28


Tutor: dr Paweł Wydro

Number of hours: 15

Description of the course: Structure and properties of solutions containing surfactants:

periodic surfaces (phase structure: hexagonal - H1, H2; lamellar – Lα, cubic- I1, I2, V1, V2,

micellar L1, L2).Molecular sieves. Nanoemulsions – properties and applications. Modeling of

biological systems with monolayer and bilayer technique. Correlation between monolayers

and bilayers. Liposomes and nanocapsules as a novel method of drug delivery. Biosensors.

Method of evaluation: exam or credit

ECTS: 1.5

Semester: summer

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74

Course code: Cb30

Title of the course: Spectroscopic methods of surface analysis

Tutor: dr Dorota Jamróz




and classes(i)

Lecture

Course code: Cb30W


Tutor: dr Dorota Jamróz

Number of hours: 15

Description of the course: The following non-invasive methods of surface analysis shall be

discussed: Reflection-Absorption IR Spectroscopy (RAIRS), Attenuation Total Reflection

(ATR), Surface-Enhanced Raman Spectroscopy (SERS), X-ray Photoelectron Spectroscopy

(XPS/ESCA), UV Photoelectron Spectroscopy (UPS), Auger Electron Spectroscopy (AES),

Electron Energy Loss Spectroscopy (EELS).

Each of the methods shall be presented in the following way: it’s theoretical background,

construction of the equipment and the measuring procedure, analysis of typical spectra, the

advantages and limitations of the method.


ECTS:

Semester:

Bibiography:

Cb31

INTRODUCTION TO NANOMATERIALS ENGINEERING AND NANOTECHNOLOGY

- general characterization of nanotechnology and nanostructured materials,

various approaches for synthesis of nanostructured materials, properties of

nanostructured materials: thermal stability, mechanical, electrical, optical and

magnetic properties, advantages and disadvantages of size reduction to

nanoscale, nanotechnology limits and undesirable phenomena, typical methods of

nanostructured materials fabrication, properties and technological applications

75

of nanomaterials, magnetic, electronic, optical, and biological nanodevices

(metallic, semiconductor and oxides nanodots, nanoparticles, nanowires,

nantubes, CMOS and MOSFET transistors, Micro, and Nano Electro

Mechanical systems (MEMS & NEMS), nanomaterials for modern batteries and

fuel cells, nonoreactors, photonic crystals, biomaterials), pH and humidity

nanosensors, nanosensor for determination of single virus, DNA and its

reactivity, nanoelectrodes and others, perspectives on the future of

nanotechnology and its development.

Cb32

FABRICATION OF NANOSTRUCTURED MATERIALS

- nanotechnology and nanostructured materials, nanomaterials fabricated by

lithographic techniques: classical lithography, electron beam lithography (EBL),

ion beam lithography (IBL), X-ray lithography, interference and holographic

lithography, soft lithography techniques including microcontact printing and

nanotransfer patterning (µCP and nTP), nanoimprint lithography (NIL),

fabrication of nanoscale structures using STM, AFM and NSOM microscopy,

deep-pen lithography (DPL), molecular beam epitaxy (MBE), vapour-phase

synthesis of nanomaterials: physical and chemical vapour deposition (PVD and

CVD), vapour–liquid–solid (VLS) growth method, metal-organic chemical

vapour deposition (MOCVD), liquid phase epitaxy (LPE), other physical

methods including self-organised nanosphere lithography, chemical methods for

synthesis of nanomaterials using reverse micelles, self-assembled close-packed

monolayers or bilayers, sol-gel and electrochemical techniques used for

fabrication of nanostuctured materials, template methods of nanofabrication

employing block copolymers, porous silicon, porous polymeric and alumina

membranes together with electroless deposition and atomic layer deposition

(ALD)

Cb34

SYNTHESIS OF NANOSTRUCTURED MATERIALS BY ANODISING

- various semiconductors and metals anodization, aluminium anodising as a method of

synthesis of ordered nanostructures, type of formed anodic film, electrolytes used for

Al anodization, structural features of anodic porous alumina (AAO), effect of

operating conditions on structural features of nanostructures (nanopore diameter,

interpore distance, thickness of the barrier layer, aspect ration and porosity),

incorporation of anions during anodization, cell-wall structure, density of anodic

porous alumina, charge of anodic porous film, anodising techniques, theories of pore

initiation and porous alumina growth, volume expansion during anodization, kinetics

of self-organised nanopore growth, self-organised and pre-patterned anodising of

aluminium, type of materials used for anodization, pre-treatment of aluminium,

anodising procedures, characterization of nanostructures formed by anodization of

76

aluminium in various electrolytes, ordering degree and defects in nanostructures,

direct and template AAO assisted methods used for fabrication of various modern

nanomaterials and their applications in microelectronics and microoptics, nanosensor

and biomaterials.

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Course code: Cb33

Title of the course: Polymeric materials for applications in nanotechnology

Tutor: dr Krzysztof Szczubiałka i dr Mariusz Kępczyński




and classes(i)

Lecture

Course code: Cb33

Type of course: w

Tutor: dr Krzysztof Szczubiałka i dr Mariusz Kępczyński


Description of the course: Introduction to nanotechnology. Reactions of polymerization in

homogenous systems: radical, living and controlled polymerization. Reactions of

polymerization in dispersed systems: suspension, emulsions, miniemulsions and

microemulsions. Reactions of polymerization in self-organizing systems. Nanoencapsulation.

Photopolymerization and photocross-linking. Photolithography. Polymeric nanolayers. Self-

organizing processes of amphiphilic polymers. Techniques: SLS/DLS, TEM/SEM, AFM.

Controlled release of drugs. Conductive polymers. Electronics. Biosensors. Photonics.


ECTS: 3.0

Semester:

Bibiography:

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77

Course code: Cc01

Title of the course: Phase transitions in solid state

Tutor: dr hab. Anna Migdał-Mikuli, dr hab. Edward Mikuli


Lecture

Course code: Cc01

Type of course: lecture and classes

Tutor: dr hab. Anna Migdał-Mikuli, dr hab. Edward Mikuli

Number of hours: 60

Description of the course: The framework of the course includes discussing various methods

of determining phase transitions such as: adiabatic calorimetry, differential scanning

calorimetry, Raman and infrared band shape spectroscopy, inelastic and quasi-elastic neutron

scattering, nuclear magnetic resonance, electron paramagnetic resonance, dielectric relaxation

and magnetic susceptibility measurement. Issues concerning interpretation of the results

obtained through these methods, particularly the problem of molecular reorientation

(formalism correlation functions, correlation and relaxation times, activation energy,

molecular reorientation models) will also be discussed. The lab sessions include introduction

to the construction and activity of calorimeters as well as measuring phase transitions /specific

heat/ by applying the method of differential scanning calorimetry (DSC) for the crystal

hexaammine and hexaaqua complexes of divalent metals. The participants will also learn how

to determine the correlation time and activation barriers for reorientation movement based on

temperature-related shape of the chosen spectroscopic bands of the compounds. The seminars

also include discussions on ways of presenting the results of other methods of measuring

phase transitions and molecular reorientation.

* the course consists of 30 hours of lectures and 30 hours of lab sessions


ECTS: 6.5

Semester: summer

Bibliography: „Komplementarne metody badania przemian fazowych”, praca zbiorowa pod

red. E. Mikulego i A. Migdał-Mikuli, Wydawnictwo UJ, Kraków 2005. „Przemiany fazowe”,

praca zbiorowa pod red. A. Graji i A. R. Ferschmina, Ośrodek Wydawnictw Naukowych,

Poznań 2003.

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78

Course code: Cc02

Title of the course: Spectroscopic instrumentation

Tutor: prof. dr hab. Leonard M. Proniewicz


Lecture

Course code: Cc02w


Tutor: prof. dr hab. Leonard M. Proniewicz

Number of hours: 15

Description of the course: The lecture provides an introduction to instrumental tools and

methods of spectroscopic studies useful in wavelength (frequency) and/or spectral line shape

measurements. Applications of selected apparatuses using their technical parameter, e.g.

sensitivity, spectral resolution, optimal signal to noise ratio, constitute the major emphasis of

the course. The fundamental features and working principles of some tools (prismatic and

mesh monochromators, interferometers) and detection methods (thermal and photoemission

detectors, photocells, photomultiplier, photon counting, photoresistors, photodiodes, CCD and

others) will be discussed. The light sources of the various spectroscopic techniques also will

be presented, especially the applied lasers.


ECTS: 1.5

Semester: summer

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Course code: Cc03

Title of the course: Raman spectroscopy in catalysis and new materials.

Tutor: prof. dr hab. Leonard M. Proniewicz, dr Aleksandra Wesełucha-Birczyńska


Lecture

Course code: Cc03w

79


Tutor: prof. dr hab. Leonard M. Proniewicz, dr Aleksandra Wesełucha-Birczyńska

Number of hours: 15

Description of the course: Theoretical introduction: interaction of radiation with matter,

Raman efect, selection rules, advantages and disadvantages of the Raman method in

application of structure determination of catalysts and new materials. Modern instrumentation

and techniques applied in the Raman measurements. Examples of application: catalytic

processes of petroleum and carbon desulfunation (MoO3 and WO3 catalysts), of SO2, CO2,

NO and hydrocarbons oxidations of (catalysts consisting of vanadium, manganese, iron,

molybdenum and bismuth oxides), of olefins’ hydrogenation and dehydrogenation, and also

of synthetic gases formation (CO/H2) and others. Structure determination of zeolites,

ceramics, polymers (especially, their orientation on various surfaces), semi- and

superconductors is discussed in details.


ECTS: 1.5

Semester: summer

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Course code: Cc04

Title of the course: Rotational and Vibrational Spectroscopy in Environmental Protection

Tutor: dr Małgorzata Barańska, prof. dr hab. Leonard M. Proniewicz


Lecture

Course code: Cc04w


Tutor: dr Małgorzata Barańska, prof. dr hab. Leonard M. Proniewicz

Number of hours: 15

Description of the course: Introduction to theoretical fundamentals of radiation-matter

interaction, rigid rotor, harmonic and anharmonic oscillators, selection rules. Students

acquaint with apparatus for measurements of rotational and vibrational spectra (IR, RS and

RR), and selected measurement techniques applied in solution of environmental protection

problems. Examples of qualitative and quantitative analysis of substances polluting of

80

atmosphere (CO, SO2, nitrogen oxides, CH4 and other hydrogencarbons), water and soil are

discussed. Spectroscopic quality and quantity analysis of selected bioactive compounds

occurring in plants.

Method of evaluation: paper

ECTS: 1.5

Semester: summer

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Course code: Cc05

Title of the course: Oscillation reactions (order and chaos)

Tutor: dr Małgorzata Rachwalska


Lecture

Course code: Cc05w


Tutor: dr Małgorzata Rachwalska

Number of hours: 15

Description of the course: During the lecture the following items will be considered:

oscillation reactions in light of nature laws, some unstabilities: physical and physico-

chemical, some models of chemical oscillation reactions, some sequential oscillators,

subcritical and supercritical Hopf's bifurcation, some elements of deterministic chaos.

Method of evaluation: Problems

ECTS: 1.5

Semester: summer

-----------------------------------------------------------------------------------

Course code: Cd01

Title of the course: Phase analysis. Multidisciplinary applications

Tutor: Barbara Borzęcka-Prokop

Teaching objectives: not given (nonobligatory course)

81

Seminar

Course code: Cd01 + s



Number of hours: 30 hrs

Description of the course: (seminar 10 hrs + classes 20 hrs). Introduction to X-ray phase

analysis. Instrumentation and accuracy (use of external and internal standards). Creation of

experimental databases: diffraction line analysis in relation to Hanawalt and Fink methods.

Reference structure databases and their application in qualitative analysis. Specific

approaches to phase analysis of: i) polymorphic modifications, ii) catalysts, iii) minerals, iv)

biomaterials and v) nanostructural compounds.

Method of evaluation: written reports

ECTS: 3,5

Semester: winter/summer terms

Bibliography: seminar notes and materials

-----------------------------------------------------------------------------------

Course code: Cd02

Title of the course: Biomimetics in chemistry of novel materials


Teaching objectives: not given (nonobligatory course)



and classes(i)

Lecture

Course code:Cd02




Description of the course: Biomimetics: general terms, principles and multidisciplinary

applications. Biomineralisation and strategies in syntheses of biomimetic systems. Types and

functions of main biominerals. Bacterial biomineralisation. Biocorrosion. Molecular tectonics

82

in biomineralisation. Biomimetic approach to nanostructural synthesis. Template-directed

nucleation and growth of novel materials. SAMs. Biogenic semiconductors. Structure and

characteristics of inorganic biomimetic compounds.

Method of evaluation: written work

ECTS: 1,5

Semester: winter term

Bibliography: lecture notes and materials

-----------------------------------------------------------------------------------

Course code: Cd03

Title of the course: POWDER DIFFRACTOMETRY IN THE INVESTIGATION OF

MATERIALS

Tutor: prof. dr hab. Stanisław Hodorowicz




and classes(i)

Lecture

Course code: Cd03w

Type of course: lecture(w)

Tutor: prof. dr hab. Stanisław Hodorowicz

Number of hours: 15


Degree, range and the kind of ordering in the crystalline and pseudo-crystalline phases; real

structures, crystallinity, size of crystallites; examination of defects and strains in crystals;

investigation of polycrystalline phases in the chemical reaction conditions and structural

phase transitions; modern diffraction techniques in the study of composite polycrystalline

materials.


ECTS: 1.5

Semester: winter or summer

Bibliography:

83

1. Fundamentals of Powder Diffraction and Structural Characterization of Materials.

V. Pecharsky, P. Zavalij. Cluwer Academic Publishers, 2003;

2. The Rietveld method (IUCr Monograph on Crystallography, No. 5.) Ed. R. A. Young,

Oxford University Press, 1995.

Formularz aktualizacyjny

Opis ogólny kursu:

Course code: Cd04

Title of the course : Protein structure and function

Tutor : dr hab. Krzysztof Lewiński

Teaching objectives : Introduction to relationship between 3-dimensional structure of

proteins and their role in biological processes.




Course code : Cd04w

Type of course :

Tutor :

Number of hours :

Description of the course : Elements of protein structure, aminoacids, peptide

bond,conformation of polypeptide chain. Side-chain conformations. Secondary structure.

Motifs of protein structure. Structural hierarchy of protein structures: examples of alpha,

alpha/beta and beta structures. Interactions stabilizing proteins. Proteins folding and

molecular diseases, amyloids. Structure and mechanism of activity of selected groups of

proteins: enzymes, immunoglobuline, spherical viruses, membrane proteins, DNA-binding

proteins. The structure of DNA and RNA.

Method of evaluation : test

ECTS: 3

Semester: (zimowy, letni, zimowy/letni) winter

Bibliography : Berg J.M., Tymoczko J.L., Stryer L., Biochemia, PWN, 2005

Branden C., Tooze J., Introduction to Protein Structure, Garland Publishing, 1999

84

Course code: Cd05

Course: POLYCRYSTAL STRUCTURE INVESTIGATION

Tutor:

Type of course:

Number of hours:

ECTS:

Wiesław Łasocha PhD, DSc

Lecture + tutorials

30 hrs lec + 15 hrs tut

5

Short description of the course:

Powder diffraction techniques including: measurement conditions, lattice parameters and space

group determination. Limitation factors of intensities determination of individual reflections,

sources of errors (texture or reflections overlapping), Methods enabling preparation of ‘texture

free’ specimens, special methods for retrieving intensities of overlapping peaks. Classic and new

methods for structure solution in powder diffractometry. Rietveld refinement, available packages

their limits and applicability.

In practica part: structure solution and refinement using powder diffraction data. Software for

powder diffractometry: EXPO, DBWS, XRS-82, GSAS.

-----------------------------------------------------------------------------------

Course code: Cd07

Title of the course: Methods of Crystal Preparation

Tutor: Dr. Andrzej Olech




and classes(i)

Lecture and classes

Course code: Cd07 i


Lecturer and Tutor: Dr. Andrzej Olech

Number of hours: 30 (15 w + 15 n)


Processes of nucleation and growth; laboratory growing: ways of temperature control,

inorganic and organic preparation ABC, microcrystallization, crystal microanalysis; methods

of industrial production: mass and bulk crystallization, influence of nucleation processes on

crystallite properties, crystallization of metals and metal monocrystals, casts, dendrites and

wiskers, zone melting, epitaxy, defects; flux growth and growth in microgravity conditions.

85

Method of evaluation: Preparation of a took on a selected topic; test miniproject on a

crystallization method.

ECTS: 3,5 (2,0 w + 1,5 n)

Semester: summer

Bibliography:

1. „Wzrost kryształów” (in polish), Ed. Keshra Sangwal, wyd. WSP w Częstochowie, 1990.

2. „Modeling Crystal Growth Rates from Solution” M.Ohara, R.C.Reid, Prentice-Hall, New

Jersey (1973).

3. “Vyrashtshivanije kristallov iz rastvorov” (in rus.), T.G.Pietrov, E.B.Treivus, Ju.O.Punin,

A.P.Kasatkin; Niedra, Leningrad, 1983.

4. „Krystalizacja i krystalizatory” (in polish), Z.Rojkowski, J. Synowiec, WNT, Warszawa

1991.

-----------------------------------------------------------------------------------

Course code: Cd08

Title of the course: Structure and activity of small bioactive molecules

Tutor: prof. dr hab. Barbara Oleksyn




and classes(i)

Lecture and classes

Course code: Cd08i


Tutor: prof. dr hab. BarbaraOleksyn

Number of hours: 30


Role of small molecules in living organisms, endo- and exogenic molecules, drugs. Small

molecule and biological membranes: structure and interaction of small molecules with

proteins: enzyme substrates and inhibitors, protein receptor stimulants and blockers.

Interactions of small molecules with DNA. Physico-chemical properties of drugs and

their fate in organism, Quantitative Structure-Activity Relationship (QSAR) and three

dimensional structure of drug molecules. Determination of biological activity of drugs.

Employment of X-ray structure analysis and theoretical calculations for studies of

86

macromolecule – small molecule interactions. Selected models of drug interactions with

macromolecule active sites. Drug design.

The course comprises 15 hours of lecture and 15 hours of laboratory which are included

in specialization laboratory for 4th

year Chemistry students.

Method of evaluation: writing test + classroom report

ECTS: 3.5

Semester: winter

Bibliography: selected publications

-----------------------------------------------------------------------------------

Course code: Cd09

Title of the course: Crystal structure of selected organic compounds





and classes(i)

Lecture and classes

Course code: Cd09i



Number of hours: 45


Review of molecular and crystal structures of selected groups of compounds together with

discussion of the following problems: chemical properties an versus molecular geometry,

chirality of molecules and absolute structure, mutual recognition of molecules, effect of the

environment in the crystal on molecular conformation, packing of molecules in the crystal and

intermolecular interactions, polymorphism, the role of intra- and intermolecular hydrogen

bonds, thermal motion and disorder in crystal structures. Crystallographic databases as the

source of information on molecular structure and intermolecular interactions in crystals.

Search in database and data analysis. Studies of variation of molecular geometry and of

87

coordination polyhedra in different crystalline environment. Search for structure correlations

and for information about possible reaction paths.

The course comprises 30 hours of lecture and 15 hours of laboratory concerning usage of

Cambridge Structural Database which are included in specialization laboratory of the profile

Chemistry of New Materials and Catalysis.

Method of evaluation: writing test + classroom report

ECTS: 5.0

Semester: summer

Bibliography: selected articles from monographies and journals

-----------------------------------------------------------------------------------

Course code: Cd10

Title of the course: CRYSTAL STRUCTURE AND PHYSICAL PROPERTIES

Tutor: dr hab. Katarzyna Stadnicka




and classes(i)

Lecture

Course code: Cd10w



Number of hours: 30


Symmetry of physical properties and symmetry of crystals; tensorial description of physical

properties – basic tensor algebra; of the absolute structure: structure polarity, structure

chirality; structural characteristics of the selected crystalline materials from the viewpoint of

their physical properties: ferroic, magnetic, mechanical, optical – linear and non-linear,

thermal, transport properties etc.

88

Remark: Cd10w is one of the obligatory lectures in the Profile Chemistry of New Materials

and Catalysis.

Method of evaluation: an essay and 15 min. presentation for the given problem concerning

the subject of the lecture.

ECTS: 3.0

Semester: winter

Bibliography:

1. J. Chojnacki, Elementy krystalografii chemicznej i fizycznej, PWN, 1971;

2. R.E. Newnham, Structure - Property Relations, Springer-Verlag, 1975;

-----------------------------------------------------------------------------------

Course code: Cd11

Title of the course: ORGANIZATION OF CRYSTAL STRUCTURE – SPACE GROUPS




lecture(w), classes(n), laboratory (l), tutorials(k), seminar (s), calculation classes (c), lecture

and classes (i)

Lecture and classes

Course code: Cd11i

Type of course: lecture and classes (i)


Number of hours: 30 + 15


Isometric transformations in crystallography: passive – transformations of the coordinate

system (unit-cell), active – transformations of symmetry operations (motions), invariants;

one-dimensional (2), two-dimensional (17 plane groups) and three-dimensional (230) space

groups – examples of space-group description, matrix representations, Wyckoff positions,

Bragg reflection conditions; experimental determination of space-group symmetry from

diffraction patterns – diffraction symbol, investigation of the normalized structure-factors

distribution; maximal subgroups and minimal supergroups; practical usage of the

International Tables for Crystallography Vol. A: Space-group symmetry; isometric

89

transformations and the description of the structural mechanism of phase transitions; color

space-groups and their applications; multidimensional space groups and their applications.

Remark: the lecture of Cd11 course is included in the Profile Chemistry of New Materials and

Catalysis whereas the classes are obligatory only for the students choosing the Panel on

Designing Crystalline Phases and Structure Determination.

Method of evaluation: written solution of three selected problem concerning the subject of

the course

ECTS: 3.0 + 2.0

Semester: winter

Bibliography:

1. International Tables for Crystallography, Vol. A: Space-group Symmetry,

2. T. Hahn (ed), D. Reidel Publishing Company, 1983;

Fundamentals of Crystallography, C. Giacovazzo (ed.), Oxford University Press, 1992

-----------------------------------------------------------------------------------

Course code: Ce01

Title of the course: Numerical analysis

Tutor: Dr. Habil. Janusz Mrozek


Teaching students basic operations in numerical analysis



and classes(i)

Lecture

Course code:

Type of course:

Tutor: Dr hab. Janusz Mrozek

Number of hours: 20


Mathematical foundations of basic operations in numerical analysis: interpolation, polynomial

approximation, numerical differentiation and integration, solving sets of linear equations,

90

matrix diagonalization, solving differential equations, optimization of functions. Use of

computer libraries and numerical packages.


ECTS: 4.5

Semester: summer

Bibiography: Bjork and Dahlquist, Metody numeryczne, PWN

Laboratory

Course code:

Type of course:

Tutor: Dr. Habil. Janusz Mrozek

Number of hours: 25


Learning basic operations in numerical analysis: interpolation, polynomial approximation,

numerical differentiation and integration, solving sets of linear equations, matrix

diagonalization, solving differential equations, optimization of functions. Use of computer

libraries and numerical packages (Scilab, Octave).

Method of evaluation: 1 project work during the semester

ECTS:

Semester:

Bibiography: Introduction to Scilab

-----------------------------------------------------------------------------------

Course code: Ce02

Title of the course: Operating systems and network services



Teaching basic commands of Linux and MS Windows and using network services (ssh, ftp,

ntp)

nauczenie podstawowych poleceń systemów operacyjnych Linux i Windows oraz korzystania

z podstawowych usług sieciowych



and classes(i)

91

Lecture

Course code:

Type of course:

Tutor: Dr.Habil. Janusz Mrozek

Number of hours: 15

Description of the course: Students are given an overview of basic commands of both Linux

and MS Windows and description of network services such as ssh, ftp and ntp

Method of evaluation: 1 test after the lectures

ECTS: 2.5

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Ce03

Title of the course: Design and applications of molecular modeling software

Tutor: Dr. Habil Janusz Mrozek and Dr. Habil. Marek Frankowicz




and classes(i)

Lecture

Course code: Ce03w


Tutor: Dr. Habil. Janusz Mrozek and Dr. Habil. Marek Frankowicz

Number of hours: 60


The scope of discussed subjects includes i.a.:

Students are learning the principles of work and software design of typical

quantum-chemical programs used in molecular modeling. The GAMESS package is

used as an example of organization of typical ab initio program, while MOPAC and

MOLDEN are used as exemplary cases of semiempirical calculations and molecular

structure editing and visualization, respectively.

Within the practical part of the course students are doing modifications of program

codes, learning, i.a., the ways of extending the functionality of particular packages by

including extra modules and/or writing codes allowing for retrieving data from workfiles

92

generated by GAMESS and MOPAC. Part of the course is also devoted to ways of

implementing quantum chemical codes on computing clusters.

About one third of course material is related to characterization of simulation methods:

molecular dynamics, Monte Carlo, cellular automata. Examples of application: modellning of

chemical reactions, simulations of surface processes. Software for molecular modeling

(PHASER, Dynamics).

Method of evaluation: several software miniprojects

ECTS: 7

Semester: winter

Bibiography:

-----------------------------------------------------------------------------------

Course code: Ce04

Title of the course: Statistical methods and data analysis

Tutor: Dr Mariusz Pilch




and classes(i)

Lecture

Course code: Ce04w

Type of course: w

Tutor: dr Mariusz Pilch

Number of hours: 30


Introductory information on calculus of probability and random variables (probability,

random variable, cumulative distribution function). Theory of errors (rounding errors,

significant digits, propagation of errors). Random variable distributions (Poly’s distribution,

Poisson’s distribution, Gauss’s distribution, geometric distribution). Least square methods.

93

Matching functions to experimental data (linear function, Gaussian function, exponential

function, logarithmic function). Testing statistical hypotheses. Introduction to function

minimisation.


ECTS: 3.0

Semester:

Bibiography:

-----------------------------------------------------------------------------------

Course code:Ce05

Title of the course:Mathematical Methods in Chemistry I

Tutor:Dr. Grzegorz Mazur ..........................................................................................................

Teaching objectives: The course supplements the basic course in mathematics and extends it

by the issues directly related to theoretical chemistry. The emphasis is put on the material

connected with quantum chemistry. The purpose of the course is to present basic mathematic

apparatus used in quantum mechanics, and to develop proficiency in using it.



and classes(i)

Lecture

Course code:Ce05

Type of course:lecture

Tutor:Dr. Grzegorz Mazur

Number of hours:

Description of the course:Elements of combinatorics, complex numbers, functions of

complex numbers, elements of the group theory, linear space over real and complex fields,

Hilbert space.

Method of evaluation:exam

ECTS:.5

Semester: winter

Bibiography:

94

-----------------------------------------------------------------------------------

Course code: Ce06

Title of the course: Mathematical Methods for Chemists II

Tutor: dr Grzegorz Mazur




and classes(i)

Lecture

Course code: Ce06w

Type of course: w

Tutor: dr Grzegorz Mazur

Number of hours: 30

Description of the course: Victor analysis with element sof tensor caculus (gradient,

divergence, curl, Gauss’s theorem, Stokes’s theorem; curved coordinates and tensor analysis).

Introduction to the group theory (discreate and continuous groups). Elements of complex

function theory and partial differential equations. , . Special functions (gamma function and

Stirling’s series, Legendre functions, Bassel Functions, Hermite functions) as well as

orthogonal polynomials. Fourier transformation and Dirac delta function.


ECTS: 4.5

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Ce07

Title of the course: Advanced programming in Fortran

95



Teaching students with advanced techniques of Fortran programming exceeding those taught

in standard courses of FTN 77. Extra stress is put on various extensions to the language

including some historical solutions. This should help the students understand the work of

Fortran codes, especially those still commonly used in quantum chemical packages. Some

introduction is given to software solutions used in writing parallel codes for the

multiprocessor machines and computer clusters. owych jak i klastrach obliczeniowych.



and classes(i)

Lecture

Course code:

Type of course:


Number of hours: 30


The scope of discussed subjects includes i.a.:

i. the detail description of I/O operations in formatted, unformatted and binary modes, OPEN

and ENQUIRE instructions, I/O operations for sequential and direct access files, operations

involving “internal” files, description of fields and modifiers of FORMAT statement.

a. Description of library subroutines and functions of modern FORTRAN compilers

(based on Intel and OPEN WATCOM compiler libraries, with specialstress on

routines used in communicating the operating system

b. Constructions like COMON, EQUIVALENCE, IMPLICIT, PARAMETER,

INCLUDE, their internal relations and potential problems resulting from their misuse

c. Relations between program modules, ENTRY statement, nonstandard solutions like

e.g. RETURN statement to the label in calling module

d. Compilation, optimization and linker options

e. Creating and using software libraries, connecting modules in other languages

f. Parallel codes using MPICH and OpenMP

g. Code optymization

Method of evaluation: several software miniprojects

ECTS: 4.5

Semester: winter

Bibiography:

96

Course code: Ce08

Title of the course: Techniques of programming scientific calculations in C++

Tutor:dr Grzegorz Mazur

Teaching objectives:The main objective of the course is that students learn how to

effectively and efficiently create/modify software for scientific calculations. To achieve that,

the course covers most important methods and techniques of modern software design and

implementation. The emphasis is put on hands-on approach.

Prerequisites:

Theoretical Chemistry (A514)

Computer Science (A512)

Molecular Modelling (???)

Recommended but not obligatory: Mathematical Methods in Chemistry (Ce05/Ce06)

Description of the unit included in the course.

Lecture and classes

Course code:Ce08

Type of course:lecture and classes

Tutor:dr Grzegorz Mazur

Number of hours:45 (15 lecture + 30 classes)

Description of the course:Introduction to object programming with emphasis on the C++

object model. Introduction to generic programming in C++. Modern techniques of C++

libraries construction, mainly based on the C++ Standard Library and Boost Library

(http://www.boost.org/). Basics of computational applications design and implementation.

Introduction to optimization techniques. Introduction to parallel programming with the

Message Passing Interface. Advanced methods of implementing quantum-chemical

calculations, based on the niedoida project (http://www.chemia.uj.edu.pl/~niedoida/en).

Method of evaluation:semester project

ECTS:5

Semester: winter

Bibliography:

B. Stroustrup, The C++ Programming Language

97

Tao Pang, An Introduction to Computational Physics

T. Helgaker, P. Jorgensen, J. Olsen, Molecular Electronic-Structure Theory

-----------------------------------------------------------------------------------

Course code: Cf01

Title of the course: Methodics od Chemistry Teaching

Tutor: Dr. Michał M. Poźniczek




and classes(i)

Lecture

Course code: Cf01W


Tutor: Dr. Zofia Kluz

Number of hours: 30

Description of the course: “Principles of Chemistry Didactics”. The lecture includes

problems of general didactics illustrated by the examples necessary for the chemistry

teacher in the lower and higher secondary schools (methods, principles, didactic tools

etc.). Moreover, within the framework of the lecture the issues of principles of pupils’

knowledge testing and estimation are discussed (preparing the tools of didactic

measurement, principles of criterial estimation).

The second part of the lecture consists of methodology of curricula formation, detailed

analysis of chosen curricula and the way of chosen issues introduction.

Method of evaluation: written examination

ECTS: 13.0 W

Semester: winter semester

Bibiography:

Classes

Course code: Cf01

Type of course: classes

Tutor: The staff of the Department of Chemistry Education

98

Number of hours: 90

Description of the course: The classes has been divided into 2 blocks – 45 hours each. The

first one contains the problems of chemistry teaching in lower secondary schools and the

second one – in higher secondary schools. During the classes, basing on the lecture, students

elaborate summaries of the lessons, acquaint with the technics of school chemical experiment,

use of technical tools in teaching (computers, contemporary technics of presentations etc.).

The second part of each block are the classes in schools, where students elaborate summaries

and carry on lessons by themselves.

Method of evaluation: written test (lesson summary)

-----------------------------------------------------------------------------------

Course code: Cf05

Title of the course: Basic of chemistry for teachers

Tutor: dr M.M.Poźniczek

Teaching objectives: Aim of the curse is introduction to students essential problems of

teaching chemistry in classes with natural science profile.



and classes(i)

Lecture

Course code: Cf05l


Tutor: dr M.M.Poźniczek

Number of hours: 30

Description of the course: 1. Modern way of teaching chosen issues of chemistry

2. Rule of erudition

3. Various treatment of the same topic

4. Teaching in problem context

Method of evaluation: revision exam

ECTS: 3.0

Semester:

Bibiography:

99

-----------------------------------------------------------------------------------

Course code: Cf06

Title of the course: Methodics of Nature Study Teaching





and classes(i)

Lecture

Course code: Cf06 W



Number of hours: 30

Description of the course: “Principles of Biology for Nature Historians”. Within the

framework of the lecture, the basic issues relating to the organisation of vivacious matter

(from a cell to the whole organism) are discussed. The issues resulting from the Curriculum

Base of Science are especially emphasised.

Method of evaluation: written credit

ECTS: 3,0


Bibiography:

Course code: Cf06 W


Tutor: Dr. hab. Krystyna German

Number of hours: 30

Description of the course: “Principles of Geography”. The contents of the lecture – just as in

the case of the Principles of Biology for Nature Historians – is based on the Curriculum Base

100

of Science and contains three main issues: 1) structure and organisation of the natural

environment, 2) environment as a dynamic system, 3) landscapes of Poland.


ECTS: 3

Semester: summer semester

Bibiography:

Classes

Course code: Cf06n


Tutor: Dr. Ewa Odrowąż, Dr. Małgorzata Krzeczkowska

Number of hours: 45

Description of the course: “Didactics of Nature Study Classes”. Within the framework of the

classes the students get acquainted with different curricula for teaching nature study – science

(the subject in primary schools) and didactic tools and obtain knowledge of teacher’s work. A

separate part of classes is to prepare didactic tools useful for teaching the subject and different

summaries of lessons.


ECTS: 4,5


Bibiography:

-----------------------------------------------------------------------------------

Course code: Cf09

Title of the course: Problem Based Learning

Tutor: dr Iwona Maciejowska


Acquaintance students with PBL and various techniques of teaching/learning at different

levels of education



and classes(i)

Lecture and classes

101

Course code: Cf09i

Type of course: Lecture and classes


Number of hours: 15


Problem solving methods of teaching/learning – structure and principles (Problem and

Context Based Learning).

Method of evaluation: scenario of a class using a problem solving method, active

participation in the course (individual and group work: preparation of metaplan, project,

mental map)

ECTS: 1,5

Semester: summer

Bibiography:

1. E. Brudnik, A. Moszyńska, B. Owczarska, Ja i mój uczeń pracujemy aktywnie.

Przewodnik po metodach aktywizujących, Zakład Wydawniczy SFS, Kielce 2000.

2. E. Brudnik, Ja i mój uczeń pracujemy aktywnie 2, Oficyna Wydawnicza Nauczycieli,

Kielce 2003.

3. B. Borowska, V. Panfil, Metody aktywizujące w edukacji biologicznej, chemicznej

i ekologicznej, Wydawnictwo TEKST, Bydgoszcz 2001.

4. Aktywne metody nauczania w szkole wyższej, red. M. Jaroszewska, D. Ekiert-

Oldroyd, Wyd. Nakom, Poznań 2002.

5. K.Chałas, Metoda projektów i jej egzemplifikacja w praktyce, wydawnictwo nowa

era, Warszawa 2000

6. Problem Solving In Analytical Chemistry, The Education Division, The Royal Society

of Chemistry, London, 1998

ASE Guide to Secondary Science Education

-----------------------------------------------------------------------------------

Course code: Cf11

Title of the course: Basics of creating interactive multimedia applications using Macromedia

software.

Tutor: dr Michał M. Poźniczek



102


and classes(i)

Lecture and classes

Course code:

Type of course: i

Tutor: mgr Paweł Bernard, mgr Paweł Broś

Number of hours: 15


1. Evolution of Information Technology in teaching.

2. Elements of eLearning and blended learning.

3. Basics of creating static graphics.

4. Creating interactive applications using Authorware software.

5. Creating animations using Flash software.

6. Director as a tool similar to Authorware and Flash.

Method of evaluation: presence on classes, miniproject

ECTS: 1,5

Semester: second

Bibiography:

‘Biblia Flash 2004’ MX, Robert Reinhardt, Snow Dowd, Helion 2004

‘Using Authorware’ 7, Macromedia 2003

‘Director MX. Szybki start’, Andre Persidsky, Mark Schaeffer, Helion 2004

-----------------------------------------------------------------------------------

Course code: Cg01

Title of the course: Heterogeneous catalysis

Tutor: Prof. Dr Jerzy Datka

Teaching objectives



and classes(i)

Lecture

103

Course code: Cg01



Number of hours: 30

Description of the course: 1. The elements of chemical kinetics and thermodynamics. 2.

Definition of catalyst. 3. Various aspects of catalyst selectivity (selectivity in consecutive

reactions, shape selectivity, selectivity in enzyme reactions). 4. Methods of comparing of

catalytic activity and selectivity. 5. Homogeneous and heterogeneous catalysis. 6. Basic steps

of catalytic reactions (diffusion, adsorption, and surface reactions). 7. Description of

adsorption process on catalysts. 8. Physisorption and chemisorption. 9. Adsorption

isotherms. 10. Kinetics of catalytic reactions with adsorption

Method of evaluation: examination or acceptance

ECTS: 3.0

Semester: winter

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cg02

Title of the course: Application of IR spectroscopy to the problems of catalysis

Tutor: Prof. Dr Jerzy Datka, Dr Barbara Gil, Dr Paweł Kozyra

Teaching objectives



and classes(i)

Lecture and classes

Course code: Cg02


Tutor: Prof. Dr Jerzy Datka, Dr Barbara Gil, Dr Paweł Kozyra

Number of hours: 30

Description of the course: 1. The IR spectrometer. 2. The software used to treatment of IR

spectra. 3. IR studies of acidity of surface of solids. 4. IR studies of Lewis acid sites with CO

as probe molecule. 5. CO as probe molecule for the studies of electronic properties of

104

transition metal cations. 6. IR studies of the interaction of reactant molecules with active sites

in zeolites. 7. The IR spectra of catalysts recorded at liquid helium temperature.

Method of evaluation: acceptance

ECTS: 3.0

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cg03

Title of the course: Chemistry of zeolites


Teaching objectives



and classes(i)

Lecture

Course code: Cg03



Number of hours: 30

Description of the course: 1. Systematic of silicates. 2. Definition and the most important

properties of zeolites. 3. Description and structures of the most important zeolites. 4.

Mesoporous materials. 5. Application of zeolites in refinery industry. 6. Izomorphous

substitutions in zeolite framework. 7. Stability of zeolite structures. 8. Modifications of

zeolites (ionic exchange, dealumination, “grafting”). 9. NMR studies of zeolites. 10. Acidity

of zeolites. 11. Perspectives of development of chemistry of zeolites in the future.

Method of evaluation: examination or acceptance

ECTS: 3.0

Semester: winter and summer

Bibiography:

105

Course code: Cg06

Course: INTRODUCTION TO SURFACE CHEMISTRY

Tutor:

Type of course:

Number of hours:

ECTS:

Dr. Andrzej Kotarba

Lecture + tutorials

30 hrs

3


The course is focused on the following problems of Surface Chemistry:

Surfaces – an Introduction: classification, properties (surface concentration, clusters, thin films,

clean surfaces, adsorption, techniques of surface science); Structure of Surfaces: surface

diffraction, reconstruction, defects, epitaxial growth; Thermodynamics of Surfaces; Dynamics of

Surfaces: elementary processes of gas-surface interaction, sticking probability, surface diffusion,

desorption; Electrical Properties of Surfaces: work function, DOS, electron excitation, charge

transfer, field and surface ionisation, electron emission, XPS, STM; Surface Chemical Bond:

chemisorption, thermal activation of bond breaking, coadsorption.

The lectures are illustrated with laboratory classes organised in the research groups of Inorganic

Chemistry Department (TPD of probe molecules, BET isotherm, Kelvin Probe CPD

measurements, XPS.

Course code: Cg07

Course: HIGH VACUUM TECHNOLOGY

Tutor:

Type of course:

Number of hours:

ECTS:

Dr. Andrzej Kotarba

Lecture + tutorials

30 hrs

3


The course addresses the following problems of high vacuum technology: basic tasks and

problems of high vacuum, gasses in vacuum systems, pumping process, vacuum hardware

(materials and fittings), construction of chambers and systems, measurements in vacuum

conditions.

The lectures are illustrated with laboratory classes organised in the research groups of Inorganic

Chemistry Department. Students perform typical experiments using vacuum apparatus, interpret

the results and prepare short reports.

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106

Course code: Cg09

Title of the course: New materials in heterogeneous catalysis

Tutor: dr Piotr Kuśtrowski




and classes(i)

Lecture

Course code: Cg09w

Type of course: Lecture

Tutor: dr Piotr Kuśtrowski, dr Lucjan Chmielarz

Number of hours: 15

Description of the course: Review of the most important types of new materials, which are

used in catalysis (modified zeolites and silicalites, superacids, superbases, bifunctional

catalysts, synthetic and natural mesoporous catalysts, polimetallic catalysts, sulphides, nitrides

and carbides, homogeneous immobilized catalysts). Influence of chemical composition,

structure and texture of a catalyst on its physicochemical and catalytic properties. The main

methods of catalysts preparation, the most important technological applications and the

perspectives in scientific research of new types of catalysts.

Method of evaluation: final examination or final report

ECTS: 1.5

Semester: winter

Bibiography:

Laboratory

Course code: Cg09l

Type of course: laboratory

Tutor: dr Piotr Kuśtrowski, dr Lucjan Chmielarz, mgr Janusz Surman

Number of hours: 30

Description of the course: Four complex laboratory practices concerning on the new types of

catalytic materials (modified zeolites and silicalites, superacids, superbases, bifunctional

catalysts, synthetic and natural mesoporous catalysts, polimetallic catalysts, sulphides, nitrides

and carbides, homogeneous immobilized catalysts). The preparation of catalysts and the

107

studies on relation between chemical composition, structure and texture of a catalyst on its

physicochemical and catalytic properties

Method of evaluation: Final report

ECTS: 3.0

Semester: winter

Bibiography:

Seminar

Course code: Cg09s



Number of hours: 15

Description of the course: Theoretical preparation of student for performing of laboratory

classes by analysis of state of art obtained from scientific literature

Method of evaluation: Preparation of procedure for the preparation of new type of catalyst

ECTS: 1.5

Semester: winter

Bibiography:

Course code: Cg13

Title of the course: ENVIRONMENTAL CATALYSIS

Tutor: prof. dr hab. Mieczysława Najbar


Lecture:

Course code: Cg13W


Tutor: prof. dr hab. Mieczysława Najbar

Number of hours: 30

Description of the course: Basic catalytic processes leading to the low temperature

purification of exhaust gases produced by engines and industrial sources of emission,

DENOX – Selective Catalytic Reduction of nitrogen oxides, DESONOX – Selective Catalytic

108

Reduction of nitrogen oxides connected with oxidation of sulphure dioxide, VOC – oxidation

of volatile organic compounds, VXOC – oxidation of volatile organic compounds containing

halogens (X). Monolithic oxidic and metallic catalysts for particular purification processes –

synthesis, efficiency and durability. Methods of analysis of gases containing 10-10 000 ppm

pollutant particles.


ECTS: 3.0

Semester: winter

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cg14

Title of the course: Physico-chemical bases of the Contact Catalysts’ Synthesis

Tutor: Mieczyslawa Najbar

Teaching objectives: The scientific bases of the planning the structure of the catalyst surface

being active in the HC oxidation, SCR of NO decomposition.



and classes(i)

Lecture

Course code: Cg14(w)


Tutor: M. Najbar

Number of hours: 60

Description of the course: The scientific bases of the planning the catalyst surface structure

to achieve maximal activity and selectivity in determined processes.

The following method of the catalyst synthesis will be discussed: i) the exchange of the

anions and cations of the substrates with basic OH groups or protons of the acidic OH

groups, respectively, ii)”grafting” with the use of the volatile substrates containing component

of the active phase, iii) hydrothermal formation of the high-surface- area one- and multi-

component active phases, iv) formation of the high-surface-area multi-component active

phases by sol-gel method, v) wet impregnation and impregnation. The physico-chemical

109

processes occurring during: i) substrates’ deposition at the catalyst surface (anionic and

cationc exchange, hydrolysis, condensation, adsorption), ii) calcinations of the catalyst

precursors (ion diffusion, oxidation-induced cations’ segregation), iii) catalysts’ pretreatment

in atmospheres of different redox potentials ( surface segregation of the active forms,

dissolution of the active species in supports or intermediate phases.

The influence of the crystallographic matching the active species and the support on the

species structure.

The structure investigation of the catalyst precursors and the catalysts, with a powder X-ray

diffraction (XRD), electron diffraction in Transmission Electron Microscope (TEM) and

structure imaging in the High Resolution Transmission Electron Microscope (HRTEM),

will be presented.

The following methods for the investigation of the surface species will be discussed: i) X- ray

photoelectron spectroscopy (XPS), ii) Fourier Transform Raman spectroscopy iii) Fourier

Transform IR spectroscopy (FTIR).and iv) Difussion Reflectance Infrared Fourier Transform

Spectroscopy (DRIFTS)

The methods of the determining the catalyst activity and selectivity, the

thermoprogramed surface reaction (TPSR) and stationary state reaction (SSR), will be

presented. The examples of relations between the catalytic activity and the surface

structure will be discussed.

-----------------------------------------------------------------------------------

Course code: Cg17

Title of the course: Inorganic Reaction Mechanisms

Tutor: dr hab Janusz Szklarzewicz

Teaching objectives: The knowledge of kinetic measurements and interpretation of kinetic

data. Typical approximations used in kinetic measurements and theirs limits. Order of the

reaction. Activation parameters - determination, limits and typical problems with their

interpretation. Typical reaction mechanism for compounds of different geometry on the

basement of literature data. Stereochemical change and the coordination number - inversion,

pseudorotation, isomerization. Problem of isolation of isomers for specific coordination

polyhedra. Substitution and solvent exchange reaction. Medium effects (solvent effect, salt

effect, organized media). Oxidation-reduction reactions - mechanisms and distinguishing

between them. Typical oxidants and reductants - typical mechanisms and literature

compendium. Two-electron processes - do they exists in typical systems? Multielectron

transfers - examples. Activation of small molecules - problems in modern chemistry of metal

complexes. Insertion, migration, activation, addition and elimination. Reaction on ligands.

110

Catalysis, homo- and hetero-genous. Catalysators and organic reaction rules (are they general

and what is their origin?). Instrumental methods for kinetic measurements - selected

problems.


lecture(w)

Lecture

Course code: Cg17W

Type of course: obligatory for IV year of study

Tutor: dr hab. Janusz Szklarzewicz

Number of hours: 30h


Determination of the kinetic equation: order of the reaction, rate constants, reversible

reactions, parallel reactions, multistep reactions, approximations: steady state, pseudo first-

order. Activation parameters, modes of activation, type of reaction mechanisms. Reactions in

solution, molecularity of the process, Langford-Gray nomenclature. Occurrence and types of

coordination polyhera. Substitution reaction at 2-8 coordinate centres - overview of literature

data. Stereochemical change, classification, pseudorotation, inversion and the coordination

number. Rearrangement with change of coordination number, hydrido complexes.

Substitution reaction of carbonyl and related compounds. Solvent exchange and coordination

number, special case of complex formation in aqua complexes. Salvation of ground and

transient state. Medium effects: solvent and its structure, typical and specific salt effect,

organised media. Redox reactions: inner- and outer- sphere mechanisms (details,

intermediates, distinguishing between mechanisms, Marcus theory and their limits). Redox

reactions of sp- and d- block species, radicals and solvated electron. Activation, addition,

insertion and catalysis. Activation of ligands and small molecules (O2, N2, CO, NO, CO2,

SO2, NO2, isonitriles, H2, alkenes, alkynes, alkanes), examples. Homogeneous calatysis:

isomerization, methathesis, hydroboration, hydrogenation and other important processes.

Reactions of explosives - typical mechanisms, difference in comparison with typical kinetic

measurements.


ECTS: 4.5

Semester: winter

Bibiography:

1. Martin L. Tobe, J. Burgess, "Inorganic Reaction Mechanisms", ed. Longman Ltd,

England, 1999.

2. J.P. Candlin, K.A. Taylor, D.T. Thompson, ”Reactions of Transition-Metal

Complexes", ed. Elsevier, Amsterdam, 1968.

3. J. D. Atwood, "Inorganic and Organometallic Reaction Mechanisms", ed. Cole

Publish., Comp., California, 1985

111

4. R.W. Hay, "Comprehensive Coordination Chemistry", vol. 6, eds G. Wilkinson, R.D.

Gillard, J.A. McCleverty, Pergamon, Oxford, 1987.

-----------------------------------------------------------------------------------

Course code: Cg20

Title of the course: EPR spectroscopy

Tutor: Prof. dr hab. Zbigniew Sojka



Lecture

Course code: CG20W



Number of hours: 15


Basic notions and definitions (magnetic electronic and nuclear moments, quantization, spin-

orbit and spin-spin coupling). Zeeman effect, resonance conditions, relaxation. Experimental

techniques, continuous wave and pulse methods, quantitative measurements. Classification of

EPR spectra and their parameters, spin Hamiltonian. Isotropic spectra, hyperfine interaction

S×A×I, equivalent and nonequivalent nuclei. Anisotropic spectra of oriented systems and

systems averaged in time and space. Tensor g and tensor A - determination and molecular

interpretation, EPR spectra of organic and inorganic radicals and transition metal ions (mono-

and polinuclear centers). Calculation of g and A tensors from molecular structure data. Fine

structure interactions S×D×S, determination and interpretation of D and E parameters.

Computer analysis of complex spectra, relationship between spectral and molecular symmetry

Advanced techniques (ENDOR, ESEEM, HF-EPR). Application of EPR spectroscopy in

chemistry (case studies).


ECTS: 1,5 (1,5 W)

Semester: winter

Bibiography:

- R. Kirmse, J. Stach, „Spektroskopia EPR. Zastosowania w chemii”, Wyd. UJ, Kraków 1994

- S.K. Hoffman, W. Hilczer, „Elektronowy Rezonans Paramagnetyczny. Podstawy

spektroskopii impulsowej”, Wyd. Nakom, Poznań 1997.

112

-----------------------------------------------------------------------------------

Course code: Cg21

Title of the course: Principles of Catalysis




Lecture

Course code: CG21W



Number of hours: 15


Basic notions and definitions, description levels of catalytic phenomena, kinetic and

molecular picture, time and space scales.

Catalytic cycle - thermodynamic and kinetic analysis. Energetic diagrams and analysis of

simple and complex catalytic cycles (description of the cycle, identification of elementary

steps, kinetic coupling, thermodynamic and kinetic reaction products).

Survey of typical catalytic systems and experimental techniques used for their

characterization: structure-reactivity relationships.

Microscopic picture of heterogeneous catalysis, adsorption, diffusion, surface reaction,

Langmuir-Hinshelwood and Eley-Riedl mechanisms, oscillatory processes.

Dynamics of surface reactions, elementary processes, potential energy surfaces, analysis of

molecular pathways of surface reactions.

Description of simple and complex catalytic processes, transport limitations, introductory

reactor engineering.


ECTS: 1,5 (1,5 W)

Semester: winter

Bibliography:

- B. Grzybowska-Świerkosz, „Elementy katalizy heterogenicznej”, PWN, Warszawa 1993

- F. Pruchnik, „Kataliza homogeniczna”, PWN, Warszawa 1993

- G.C. Bond, „Kataliza heterogeniczna. Podstawy i zastosowania”, PWN, Warszawa 1979.

-----------------------------------------------------------------------------------

Course code: Cg22

113

Title of the course: Experimental techniques of catalysis and surface chemistry

Tutor: prof. dr hab. Zbigniew Sojka




and classes(i)

Lecture

Course code: Cg22W



Number of hours: 15


Survey of experimental methods, interaction of electromagnetic radiation with the matter-

Probst diagram, basic types of measurements, application of molecular probes. Imaging and

microscopy: SEM, TEM/AEM and EPMA (examination of sample morphology and point

composition), AFM and STM (surface atomic microscopy). Determination of phase and

elemental composition- XRD/ED, XRF, XRE (global composition, crystallinity, grain size).

Surface analysis: sorption methods (specific surface area, porosity, pore distribution).

XPS/UPS, AES, SIMS techniques (examination of surface composition, valence and

coordination states), LEED (structure of ordered surfaces and adsorbate layers). Investigation

of molecular structure of active sites, adsorbed molecules and reaction intermediates: UV-

VIS-NIR (electronic structure, coordination, valence states), IR/RS, DRIFT (identification of

surface species, reaction mechanism), EXAFS, SEXAFS, XANES, NEXAFS (coordination

and bond lengths in amorphous systems), MAS NMR and EPR spectroscopy (investigation of

active centers, adsorbed species, surface reaction mechanisms, radical processes).


ECTS: 1,5

Semester:

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cg23

Title of the course: Solid State Chemistry


114



Lecture

Course code: CG23W



Number of hours: 15


Classification of solids: crystalline (molecular, ionic, covalent, metallic), porous, amorphous,

hybride, nano- and supramolecular materials., inorganic polymers, highly dispersed

substances.

Preparation methods of solid materials, nucleation, particle growth and sintering,

hydrothermal methods, sol-gel.

Electric, magnetic and optical properties of solids (metals, insulators and semiconductors,

diamagnetic, paramagnetic, antiferro- ferro- and ferrimagnetic materials.

Electronic structure (band theory and chemical bonding, Bloch functions, Fermi level and

surfaces, DOS, local and cluster models, Hubbard and Anderson approach.

Point and linear defects (classification and Kroger-Vink notation, thermodynamics of defects,

transport properties, diffusion, donor and acceptor levels, electronic and chemical properties,

chemical doping, p-n junctions.

Surface (surface energy, work function, electronic states, band curvature, interaction with

adsorbate). Interfacial phenomena and chemistry. Heterogeneous solid state reactions in ionic

solids, metals, amorphous materials.

18. Method of evaluation: exam

19. ECTS: 1,5 (1,5 W)

20. Semester: winter

21. Bibliography:

– J. Dereń, J. Haber, R. Pampuch, „Chemia ciała stałego”, PWN, Warszawa 1977

-----------------------------------------------------------------------------------

Course code: Cg25

Title of the course: Photocatalysis in homogeneous systems

Tutor: Prof. dr hab. Zofia Stasicka

Teaching objectives: To present photocatalytic processes from the mechanistic point of view

and to show their importance


115


and classes(i)

Lecture

Course code: Cg25w


Tutor: Prof. dr hab. Zofia Stasicka

Number of hours: 15


• Introduction (origin, definitions, general meaning);

• Types of photocatalytic processes (true photocatalysis and photoenhancement:

calalysed photoreactions, assisted photoreactions, sensitized photoreactions);

• Transition metal complexes in photocatalysis (effect of coordination on ligand

properties and reactivity, photochemical behaviour of coordination compounds,

influence of ligand, central atom and medium nature on the photoreaction type and

photosensitivity spectral range);

• Applications (photocatalysis in organic synthesis, photocatalysis in environment,

photocatalysis in energy production: conversion of solar energy).


ECTS:

Semester:

Bibiography:

Course code: Cg28

Course: BIOINORGANIC CHEMISTRY

Tutor:

Type of course:

Number of hours:

ECTS:

Prof. Grażyna Stochel PhD, DSc

Lecture + seminar

30 hrs lec + 15 hrs sem

4.5


Important elements in biology and medicine, physical methods in bioinorganic chemistry, choice,

uptake and assembly of metal containing units in biology, bioligands, communication roles for

metals in biology, metal functions in metalloproteins, metalloenzymes, metal ion transport and

storage, biochemistry of small molecules (O2, N2, CO, CO2, NO, etc), biomineralization, metals

in environment and medicine, perspectives of bioinorganic chemistry.

116

Course code: Cg29

Course: PHOTOCHEMISTRY IN BIOLOGY AND

MEDICINE

Tutor:

Type of course:

Number of hours:

ECTS:


Lecture

15 hrs

1.5


Light and life; photochemical and photophysical principles; excited states, transient species,

radicals; direct and sensitized photoprocesses; photochemical reactions and kinetics;

photochemistry in nature: photosynthesis, vision, bioluminescence; phototoxicity,

photocancerogenesis, photoalergy, photoaging; elements of photomedicine: direct phototherapy,

photodynamic therapy and diagnosis, phototargeting, photostability of drugs, photoprotection;

modern experimental technics in photochemistry, photophysics and photobiology.

Course code: Cg30

Course: INORGANIC AND BIOINORGANIC REACTIONS -

KINETICS AND MECHANISMS

Tutor:

Type of course:

Number of hours:

ECTS:


Lecture

15 hrs

1.5


Reaction rate and rate law; deduction of mechanism, experimental determination of the rate of

reaction, substitution reactions, oxidation-reduction reactions, modification of ligand reactivity by

complex formation, isomerism and stereochemical change, photochemical reactions.

Course code: Cg31

Course: MEDICAL INORGANIC CHEMISTRY

Tutor:

Type of course:

Number of hours:

ECTS:


Lecture

15 hrs

1.5


Introduction; inorganic compounds in prophylaxis, therapy and diagnosis, Bertrand diagrams,

radiometal-labeled agents for diagnostic imaging, contrast agents for X-ray, magnetic resonance

imaging (MRI), therapeutic radiopharmaceuticals, metal complexes as photo- and

radiosensitizers, cis-platin and other antitumor metallopharmaceuticals, vanadium compounds as

117

insulin mimics, treatment of Wilson and Menkens diseases, gold-based therapeutic agents,

bismuth compounds, inorganic pharmacology of lithium, metal complexes as enzyme inhibitors,

chelation treatment of metal intoxication, recognition and reactions of metallointercalators with

DNA, transport of metal ions.

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Course code: Cg32

Title of the course: Chemistry under Extreme Conditions & Cryogenics

Tutor: Dr. Wojciech Macyk, Dr. Konrad Szaciłowski




and classes(i)

Lecture

Course code: Chemistry under Extreme Conditions & Cryogenics

Type of course: i

Tutor: Dr. Wojciech Macyk, Dr. Konrad Szaciłowski

Number of hours: 30


The subject of the course covers physical and chemical processes under extreme and non-

classical conditions. The following aspects will be discussed in detail:

• Cryogenics – properties of cryogenic liquids, methods of various gases

condensation, physical and chemical processes at low temperatures, applications of

cryogenics. Polish scientists as pioneers of cryogenics (Karol Olszewski, Zygmunt

Wróblewski).

• High pressures – influence of high pressure on selected physical and chemical

processes, thermodynamic parameters, etc. Application of high pressures in

synthesis of chemicals and in mechanistic studies of chemical processes.

• Supercritical fluids – properties of supercritical fluids, physical and chemical

processes in supercritical solutions, application of supercritical fluids.

• Physical and chemical processes under other non-classical conditions – ionic

liquids, ultrasounds (sonochemistry), microwaves, plasma.


118

ECTS: 3.0

Semester: summer

Bibliography:

• van Eldik, R.; Hubbard, C. D. (Eds.) Chemistry under Extreme or non-Classical

Conditions, Wiley, 1996.

• Jha, A. R. Cryogenic Technology and Applications, Butterworth-Heinemann, 2005.

• Szczepaniec-Cięciak, E. Karol Olszewski (1846-1915). Chemik, światowej sławy

kriogenik. in Złota Księga Wydziału Chemii UJ, E. Szczepaniec-Cięciak (Ed.),

Wydawnictwo UJ, Kraków 2000, pp. 143-168.

• Selected review papers.

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Course code: Cg35

Title of the course: Modern methods of inorganic synthesis

Tutor: J. Szklarzewicz

Teaching objectives: Practical knowledge of the methods used in inorganic synthesis. Stability of coordination

compounds and the isolation problems (including isomerisation, reaction on coordinated

ligands etc.). Methods of inorganic synthesis including use of: ultrasonic, plasma and

microwave activation. Synthesis under anaerobic, low and high pressure. Solvents, cations

and anions and crystal quality.

lecture (W)

Course code: Cg35W




Description of the course: General description of coordination numbers in periodic table. The structure stability and the

problem of product isolation. Isomerisation and methods of isomers synthesis and

purification. Solvents, influence on reactivity and on product. Methods of reaction activation

and its impact on products. Some techniques in synthesis: ultrasonic and microwave radiation,

low and high pressure. Synthetic procedures in phases: gas; gas-liquid, liquid-solid sate, solid-

solid. Anaerobic procedures, synthesis in supercritical liquids, hydrothermal methods, gels,

use of current flow in synthesis (including synthesis by reduction, oxidation, electrodeposition

and synthesis of compounds with metal on extreme oxidation states). Synthesis of

heterometallic compounds and polymers. Substitution and redox and thermal dissociation

reactions in synthesis. Activation of ligands- short review. Evaluation of cations, anions and

solvent in crystal growth. Practical examples. Methods of crystal growth (including change in

solubility, crystallization of non soluble compounds, electrocrystallization). Composite

materials and molecular wires and their synthesis.

Method of evaluation: presence

ECTS: 4.5

Semester: winter Bibiography: literature

119

Laboratory Course code: Cg35l

Type of course: ?


Number of hours: 15


Method of evaluation: exam and report

ECTS:

Semester: winter

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cg38

Title of the course: Coordination Chemistry of Inorganic Molecular Materials

Tutor: prof.dr hab.Barbara Sieklucka




and classes(i)

Lecture

Course code: Cg38 (w)

Type of course:

Tutor: prof.dr hab.Barbara Sieklucka

Number of hours: 30


From molecular coordination chemistry to coordination chemistry of inorganic materials.

Metal-ligand bonding. Chelate and macrocyclic effects. Pre-organization and

complementarity. Coordination of inorganic cations and anions. Design and characteristics of

polynuclear coordination compounds. Synthetic strategy – from molecule to inorganic

molecular material. Building blocks and self-assembly. Types of metal moieties (connectors)

and linkers. Nature of interactions (coordination bonds, electrostatic interactions, hydrogen

bonding, π-π stacking, dispersion forces, solvatophobic effects, steric effects). Structural

topology. Clusters and aggregates – zero-dimensional assemblies. Inorganic-organic hybrid

materials one-, two- and three-dimensional. Coordination polymers. Functionality of

polynuclear coordination compounds. Porous materials. Magnetic molecular materials. Spin

120

cross-over materials. Chromism. Non-linear potical properties. Redox properties.

Conductivity.Multifunctionality.

Method of evaluation: credit or exam

ECTS: 3.0

Semester: winter

Bibiography:

1. P.D.Beer, P.A.Gale, D.K.Smith, Supramolecular Chemistry, OUP Oxford 1999.

2. J.W.Steed, J.L.Atwood, Supramolecular Chemistry, Wiley 2000.

3. M.T.Weller, Inorganic Materials Chemistry, OUP Oxford 1999.

4. B.J.Holliday, Ch.A.Mirkin, Supramolecular Coordination Chemistry, Angew.Chem.Int.Ed.,

2001, 40, 2022-2043.

5. S.Leiniger, B.Olenyuk, P.J.Stang, Self-assembly of discrete cyclic nanostructures mediated

by transition metals, Chem.Rev.,2000, 100, 853-908.

6. B.Moulton, M.J.Zaworotko, From molecules to crystal engineering: supramolecular

isomerism and polymorphism in network solids, Chem.Rev., 2001, 101, 1629-1658.

7. Ch.Janiak, Engineering coordination polymers towards applications, Dalton Trans., 2003,

2781-2804.

8. A.F.Orchard, Magnetochemistry, OUP Oxford 2003.

. -----------------------------------------------------------------------------------

Course code: Cg39

Title of the course: Molecular devices and molecular logic gates

Tutor: dr Konrad Szaciłowski

Teaching objectives: Course is devoted to different aspects of molecular devices and

especially to chemical logic gates and other chemical systems for information storage and

processing.



and classes(i)

Lecture

Course code: Cg39w

121

Type of course: w


Number of hours: 15

Description of the course: The course encompasses basic notions related to molecular

machines with special emphasis on information processing at molecular level.Introductory

topics: introduction to Boolean algebra and digital information processing, Moore’s law and

principles of oparation of logic gates.Control of motion in supramolecular systems,

application of supramolecular systems as information carriers. Application of electrochemical

and photochemical techniques in control and monitoring of supermolecules.Molecular

information processing as an alternative to conventional electronics. Chemical systems in

information processing: chemomechanical systems: „molecular mecano”, rotaxanes,

catenanes, rotacatenanes, photochromic materials, fluorescent sensors as logic gates.

Chemical algebraic systems. Molecular logic systems based on simple coordination

compounds.

Method of evaluation: essay or written exam

ECTS: 1.5

Semester: winter

Bibiography: F. Crick „The Astonishing Hypothesis”, Scribner Book Company , 1995

R. Penrose „The Large, the Small and the Human Mind”, Cambridge University Press, 1997

S. Greenfield „The Human Brain: A Guided Tour ”,Basic Books, 1998.

E. Regis „Nano : The Emerging Science of Nanotechnology”, Back Bay Books , 1996.

G.J. Milburn „Quantum technology”, Allen & Unwin, 1996.

W.D. Hills „Pattern on the Stone”, Perseus Books Group , 1999.

G.J. Milburn „The Feynman Processor: Quantum Entanglement and the Computing

Revolution ”, Perseus Publishing, 1999.

Seminar

Course code: Cg39S

Type of course: s


Number of hours: 15

Description of the course: This course is devited to extension of the material presented

during lectures, desing and analysis of various logic circuits (both electronic and chemical)

and theorwetical analysis of logic systems. A part of the course is devited to numerical

modelling of electronic circuits.

Method of evaluation: oral presentation

ECTS: 1.5

Semester: winter

Bibiography: 1. P. Bonhôte, E. Gogniat, F. Campus, L. Walder, and M. Grätzel, Displays,

1999, 20, 137. 2. G. J. Brown, A. P. de Silva, and S. Pagliari, J. Chem. Soc. Chem. Commun.,

122

2002, 2461. 3. Y. Chen, G.-Y. Jung, D. A. A. Ohleberg, X. Li, D. R. Stewart, J. O. Jeppesen,

K. A. Nielsen, J. F. Stoddart, and R. S. Williams, Nanotechnology, 2003, 14, 462. 4. A. P. de

Silva, D. A. Fox, A. J. M. Huxley, and T. S. Moody, Coord. Chem. Rev., 2000, 205, 41. 5. A.

P. de Silva, H. Q. N. Gunaratne, T. Gunnlaugsson, A. J. M. Huxley, C. P. McCoy, J. T.

Rademacher, and T. E. Rice, Chem. Rev., 1997, 97, 1515. 6. V. Balzani, M. Venturi, and A.

Credi, 'Molecular Devices and Machines - A Journey into Nanoworld', WILEY-VCH, 2003. .

-----------------------------------------------------------------------------------

Course code: Cg40

Title of the course: Introduction to environmental chemistry

Tutor: dr Magdalena Kurdziel

Lecture

Course code: Cg 40w



Number of hours: 15

Description of the course: Basic concepts and definitions. The role of environmental

chemistry in realization of the idea of sustainable development. Composition of the

atmosphere. Chemical and photochemical reactions in the atmosphere. Air pollutants and their

sources. Chemistry of hydrosphere. Water pollution. Water quality – classification of waters.

Water and sewage treatment. Soil pollution and degradation. Protecting the environment

against pollution.


ECTS: 1,5

Semester: summer

Bibiography:

1. S. E. Manahan, Environmental chemistry, 8th edition, CRC Press, Boca Raton-London-

New York-Washington 2005.

2. P. O'Neill, Chemia środowiska, Wydawnictwo Naukowe PWN, Warszawa-Wrocław 1997.

3. L. Falkowska, K. Korzeniowski, Chemia atmosfery, Wydawnictwo Uniwersytetu

Gdańskiego, Gdańsk 1995.

4. B. J. Alloway, D. C. Ayres, Chemiczne podstawy zanieczyszczania środowiska,

123

Wydawnictwo Naukowe PWN, Warszawa 1999.

Classes

Course code: Cg40n



Number of hours: 15

Description of the course: Calculations in environmental chemistry. Problem solving

tasks

Method of evaluation: graded credits

ECTS: 1,5

Semester: summer

Bibiography:

Seminar

Course code: Cg40s



Number of hours: 30

Description of the course: Green chemistry. Global environmental problems: greenhouse

effect, ozone layer destruction, acid rains. Persistent organic pollutants and heavy metals in

the environment. Wastes management. Food contamination. The state of the environment in

chosen regions of Poland. Problems of local communities caused by environment degradation.

Human pression.

Method of evaluation: graded credits

ECTS: 3

Semester: summer

Bibiography: 1. Chemia środowiska. Ćwiczenia i seminaria. Cz. 1 i 2., pod red. E.

Szczepaniec-Cięciak

i P.Kościelniaka, Wydawnictwo Uniwersytetu Jagiellońskiego, Kraków 1999.

2. Web sites: Inspectorate of Environmental Protection (www.pios.gov.pl), Ministry of

Environment (www.mos.gov.pl), local administration (municipalities, communes,

counties, etc.)

3. Teaching materials supplied by tutor.

124

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Course code: Cg41

Title of the course: Actual problems in chemistry of new materials and catalysis

Tutor: : Prof. Dr Jerzy Datka, Prof. Dr Barbara Sieklucka, Prof. Dr Zbigniew Sojka, Dr hab.

Katarzyna Stadnicka, Dr hab. Wiesław Łasocha

Teaching objectives



and classes(i)

Lecture

Course code: Cg41


Tutor: : Prof. Dr Jerzy Datka, Prof. Dr Barbara Sieklucka, Prof. Dr Zbigniew Sojka, Dr hab.

Katarzyna Stadnicka, Dr hab. Wiesław Łasocha

Number of hours: 30

Description of the course: 1. basing information concerning zeolites 2. industrial application

of zeolites. 3. Thermodynamic, kinetic and molecular description of surface processes and

catalytic reactions. 4. Introduction to chemistry of nanostructural materials. 5. what is

supramolecular coordination chemistry. 6. Examples of inorganic functional molecular

materials, topology, structure and properties. 7. Introduction to crystal structure designing. 8.

Intermolecular interactions useful in crystal engineering. 9. Crystallographic and powder

diffraction methods in material science. 10. Application of new materials as solid hydrogen

storage materials.11. Preparation of literature miniproject concerning chemistry of new

materials and catalysis.

Method of evaluation: acceptance and evaluation of literature miniproject

ECTS: 7.0

Semester: summer

Bibiography:

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125

Course code: Cg42

Title of the course: Photomaterials

Tutor: dr Wojciech Macyk, dr Konrad Szaciłowski

Teaching objectives: Course is devoted to practical applications of photoactive materials



and classes(i)

Lecture

Course code: Cgw

Type of course: w

Tutor: dr Wojciech Macyk, dr Konrad Szaciłowski

Number of hours: 15

Description of the course: Introduction: interactions of light with matter (reflection,

dispersion, scattering, interference, diffraction), basic photophysical and photochemical

processes. Definition of photomaterials. Photomaterials in biology and medicine: fluorescent

labelling (fluorophores and quantum dots), fluorescent chemisensors, photoactive materials in

therapy, cosmetic photoprotective filters, plant and animal pigments. Photomaterials and

information: photography (B&W and colour), photocopying, optical discs (CD, CD-R, CD-

RW, DVD, DVD-R, DVD-RW), displays (LCD, LED, OLED, CRT, plasma displays),

thermal and self-copying paper. Photomaterials in environmental protection: photocatalysts

for air and water purification, self-cleaning and self-sterilizing surfaces, superhydrophobicity

and superhydrophylicity. Other photomaterials: photovoltaic cells, photo-, thermo- and

elecgtrochromic materials for various applications, light-hardened resins, photopolymers in

electronics and medicine, photolitography.

Method of evaluation: essay or written exam

ECTS: 1.5

Semester: summer

Bibiography: (1) Fujishima, A.; Hashimoto, K.; Watanabe, T. TiO2 photocatalysis. Fundamentals and

Applications; BKC, Inc.: Tokyo, 1999.

(2) Bonhôte, P.; Gogniat, E.; Campus, F.; Walder, L.; Grätzel, M. Displays 1999, 20, 137.

(3) Carp, O.; Huisman, C.L.; Reller, A. Progr. Solid State Chem. 2004, 32, 33.

(4) de_Saja, J.A.; Rodríguez-Méndez, M.L. Adv. Colloid Interface Sci. 2005, 116, 1.

(5) de_Silva, A.P.; Gunaratne, H.Q.N.; Gunnlaugsson, T.; Huxley, A.J.M.; McCoy, C.P.;

Rademacher, J.T.; Rice, T.E. Chem. Rev. 1997, 97, 1515.

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126

Course code: Cg43

Title of the course: Nanoelectronics and molecular electronics


Teaching objectives: principles of nanoelectronics and molecular electronics, chemistry of

components used in molecular electronics, techniques for fabrication and research on

nanostructures



and classes(i)

Lecture

Course code: Cg43w

Type of course: w


Number of hours: 15

Description of the course: The course consists of three parts. The first part deals with basic

principles of classical electronics: construction and operational properties of basic active

components (diodes, bipolar transistors, FET transistors), structure and fabrication technology

of monolithic integrated circuits. Technological and physical limits of classical electronic

semiconducting devices are also included in this part.

The second part is mostly devoted to synthesis, properties and electronic structure of

molecular precursors used in molecular electronics (fullerenes, porphyrins, phthalocyanines,

policenes, tetrathiafulvalenes and carbon nanotubes). Properties critical for applications of

these materials in electronics are especially emphasized.

The third part of the course discusses techniques used for fabrication and investigation of

nqnoelectronic structures using single molecules and thin layers. Organic field effect

transistors (OFET), organic photovoltaic systems and molecular optoelectronic switches are

described in detail.

Method of evaluation: essay or test exam

ECTS: 1.5

Semester: summer

Bibiography:

A. W Gosh, P.S. Damle, S. Datta, A. Nitzan „Molecular electronics: theory and device

prospects”, MRS Bulletine, 2004, 391-395.

R. McCreery “Carbon-based molecular electronic junctions”, Electrochem. Soc. Interface,

2004, 46-51.

J.A. Hutchby, G.I. Bourianodd, V.V. Zhirnov, J.E. Brewer “ Extending the road beyond

CMOS”, IEEE Circ. Dev. Mag. 2002, (03), 28-40.

K.S. Kwok “Materials for future electronics”, NANO Today 2003, (12), 20-27.

127

S.M. Lindsay “Single molecule electronics”, Electrochem. Soc. Interface 2004, 26-30.

R.L. Carroll, C.B. Gorman “The genesis of molecular electronics”, Angew. Chem. Int. Ed.

2002, 41, 4378-4400.

K.P. Zauner “Molecular information technology”, Crit. Rev. Solid State Mat. Sci. 2005, 30,

33-69.

“Springer Handbook of Nanotechnology”, ed. B. Bhushan, Springer Verlag, Berlin 2004

“Handbook of Nanoscience, Engineering and Technology”, ed. W.A. Goggard III, CRC

Press, New York, 2003.

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Course code: Cg45

Title of the course: Mechanisms of photochemical reactions

Tutor:




and classes(i)

Lecture

Course code: Cg45w

Type of course: w

Tutor: Dr. Wojciech Macyk

Number of hours: 15


• Fundamental photochemical laws: Jabłoński diagram, radiative and nonradiative

processes, fluorescence, phosphorescence, selection rules, excited states quenching,

kinetics of photochemical processes

• Tools used in studies on mechanisms of photochemical reactions and photophysical

processes – continuous and flash photolysis, quantum yield measurements,

photoelectrochemistry, spectroelectrochemistry

• Chemical actinometry

• Photochemical reactions of organic compounds – pericyclic reactions, symmetry in

photochemistry, various types of photochemical reactions (substitution, addition,

polymerisation, redox, etc.)

• Chemiluminescence

• Photochemical reactions of coordination compounds

• Mechanisms of selected photochemical processes in biology, medicine, environmental

protection, industry

Method of evaluation: essay or exam

128

ECTS: 1.5

Semester: summer

Bibliography:

• S. Paszyc Podstawy fotochemii, PWN, Warszawa 1992

• J. A. Baltrop, J. D. Coyle Fotochemia. Podstawy, PWN, Warszawa 1987

• Selected review papers

-----------------------------------------------------------------------------------

Course code: Cg46

Title of the course: Heterogeneous photocatalysis

Tutor: Dr Wojciech Macyk




and classes(i)

Lecture

Course code: Cg46w

Type of course: w

Tutor: Dr. Wojciech Macyk

Number of hours: 15


• Basic processes at illuminated semiconductors (excitation, recombination, interfacial

electron transfer)

• Photocatalytic degradation and mineralization of water and air pollutants – mechanistic

aspects

• Modification of heterogeneous photocatalysts – photosensitisation, tuning of redox

properties and basic physicochemical parameters

• Spectroscopy of broad bandgap semiconductors

• Photoelectrochemistry of broad bandgap semiconductors – flatband measurements,

efficiency of photocurrent generation (incident photon to current efficiency; IPCE),

current doubling effect, spectroelectrochemistry, semiconductor-based photochemical

switches

• Selected photocatalytic processes – photocatalysed organic synthesis, nitrogen

photofixation, CO2 photoreduction, photosensitised singlet oxygen generation

• Practical applications of heterogeneous photocatalysis, especially in the presence of TiO2

– photocatalytic water and air purification, self-cleaning and self-sterilising surfaces,

superhydrophilic surfaces, photovoltaic cells (Graetzel cell)

Method of evaluation: essay or exam

129

ECTS: 1.5

Semester: summer

Bibliography:

• Fujishima, A.; Hashimoto, K.; Watanabe, T. TiO2 Photocatalysis. Fundamentals and

Applications; BKC, Inc.: Tokyo, 1999.

• Selected review papers

-----------------------------------------------------------------------------------

Course code: Cg47

Title of the course: Photoelectrochemistry and photovoltaics

Tutor: Dr. Konrad Szaciłowski, Dr. Wojciech Macyk

Teaching objectives: The main objective of the course is to present the basic aspects of

spectroscopy and electrochemistry of semiconductors and practical applications of these

materials for construction of solar cells. Furthermore, much attention will be paid to various

practical aspects of solar energy conversion: from thermodynamic efficiency of the devices to

the economical and environmental factors.



and classes(i)

Lecture and classes

Course code: Cg47i

Type of course: i

Tutor: Dr. Konrad Szaciłowski, Dr. Wojciech Macyk

Number of hours: 30

Description of the course: The course is divided into two parts. The first part encompasses

the basics of electronic structure of semiconductors, synthesis of semiconductor powders and

thin layers of precisely designed structure as well as various photoelectrochemical

phenomena. Detailed problems: determination of band gap energy and band edge potentials,

polarity of semiconductor surfaces, bulk doping and surface modification, generation and

recombination of charge carriers, photocurrent doubling effect, thermodynamic and kinetic

aspects of photocurrent generation, photocurrent switching effects and its application in

optioelectronics, semiconductor-based sensors.

The second part is devoted to various types of photovoltaic cells: monocrystalline,

polycrystalline, thin layer cells, polymer PV cells, photosensitized solar cells. Detailed topics:

thermodynamic efficiency of various solar cells, electronic phenomena in single- and

multilayer semiconducting cells, semiconductor matching and parasitic processes associated

therewith, photonic phenomena in thin layer cells, photonic and fluorescent energy

concentrators, economical and environmental issues of solar energy conversion.

Method of evaluation: test exam

130

ECTS: 3.0.

Semester: winter

Bibiography:

V. Lehman “Electrochemistry of Silicon. Instrumentation, Science, Materials and

Applications”, Wiley-VCH 2002.

K. Iizuka Elements of Photonics, Volume I: In Free Space and Special Media. John Wiley &

Sons, Inc. 2002

K. Iizuka Elements of Photonics, Volume II: For Fiber and Integrated Optics. John Wiley &

Sons, Inc., 2002.

J.G. Vos, R.J. Forster, T.E. Keyes „Interfacial Supramolecular Assemblies” John Wiley &

Sons, Ltd., 2003

G. Decher, J.B. Schlenoff „Multilayer Thin Films”, Wiley-VCH 2002

T. Markvart, L. Castanier „Practical Handbook of Photovoltaics: Fundamentals and

Applications”, Elsevier 2003

C.J. Brabec, V. Dyakonov, J. Parisi, N.S. Sariciftci „Organic photovoltaics. Concepts and

realization”, Springer Verlag: Berlin, 2003.

J. Gellings, H.J.M. Bouwmeester „The CRC Handbook of Solid State Electrochemistry”, CRC

Press 1996

N. Tsuda, K. Nasu, A. Fujimori, K. Siratori “Electronic Conduction in Oxides”, Springer,

2000.

131

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Course code: Ci01

Title of the course: Metals in organic synthesis

Tutor: Dariusz Cież Ph.D.




and classes(i)

Lecture

Course code: Ci01


Tutor: Dariusz Cież Ph.D.

Number of hours: 30

Description of the course: Topics include the Wurtz coupling, “soft” enolization techniques,

syntheses of enolates and their application in aldol reactions, alkylation and arylation

processes and couplings. Addition reactions of metalorganic compounds to α,β-unsaturated

systems, carbonyl groups and imines. Applications of palladium, cobalt, chromium and

molybdenum compounds in carbon-carbon bond formations. Olefin metathesis using the

Schrock’s and Grubb’s catalysts. Metal mediated functionalization of olefins. Lewis acid-

catalyzed enantioselective cycloadditions. Radical and carbene reactions – formation of free

radical species using metal salts. Oxidation and reduction of organic compounds.

Homogeneous and heterogenous hydrogenations of unsaturated compounds using palladium,

platinum and Wilkinson’s catalysts. Application of aluminum trihydride, LAH and cerium

trichloride in reduction of functional groups.


ECTS: 3.0


Bibiography: 1) R. P. Houghton „Kompleksy metali w chemii organicznej”

2) F. Pruchnik „Chemia metaloorganiczna – pierwiastki przejściowe”

3) W. Carruthers, I. Coldham “Modern methods of organic synthesis”

132

4) J. Gawroński, K. Gawrońska, K. Kacprzak, M. Kwit „Współczesna

synteza organiczna”

5) J. Skarżewski „Wprowadzenie do syntezy organicznej”

6) F. Pruchnik „Kataliza homogeniczna”

Supramolecular Chemistry

Course code: Ci03


Tutor: dr hab. Julita Eilmes

Number of hours: 30


Nature of supramolecular interactions: Terminology of supramolecular chemistry,

definitions and their historical development (host, guest, receptor, molecular inclusion,

clathrates, cavitates, complementarity, preorganisation). Classification of supramolecular

interactions (ion-ion, ion-dipole, dipole-dipole, cation-π, hydrogen bonding, π-π stacking,

hydrophobic effects, close packing in the solid state). Supramolecular aspects of biological

processes – metalloproteins, enzymes, nucleic acids Molecular recognition: Cation binding

hosts – crown ethers, lariat ethers, podands, cryptands, spherands. Natural receptors of

cations. Complexation and transport of ions. Ionophores. Activation of anions - Phase

Transfer Catalysis. Calixarenes, cyclophanes, carcerands. Receptors for anionic guests.

Neutral guest binding. Chiral recognition. Cyclodextrins – inclusion properties and

applications. Self-assembly: Self-assembly in natural and synthetic systems. Molecular

template effect. π–Electron donor-acceptor systems. Transition metal ions in self-assembly

and in template effects. Hydrogen bond directed assemblies. Synthesis of catenanes, rotaxanes

and knots. Molecular boxes, racks and ladders. Helicates. Molecular rosettes and ribbons.

Cucurbituril and peptide nanotube. Materials, devices and supramolecular technology:

Dendrimers. Liquid crystals. Molecular sensors, switches and logic gates. Supramolecular

catalysis.


ECTS: 3

Semester: summer

Bibliography:

Chemistry of Macrocyclic Complexes

Course code: Ci04



Number of hours: 15

133


Nomenclature rules for macrocyclic systems. Thermodynamic and kinetic aspects of

macrocyclic systems formation – coordination template effect, macrocyclic and cryptate

effects. Synthetic approach to macrocyclic systems: Non-template procedures – high

dilution techniques. Metal - ion templated synthesis, Crown ethers, aza-oxa, thia-crowns,

cryptands. Macrocyclic Schiff bases. Metal complexes of phtalocyanine,

Tetraaza[14]annulenes. Synthesis of porphyrins (TPP, OEP, meso-substituted derivatives).

Reactivity of macrocyclic complexes: Metal centered reactions. Reactivity of the ligand –

oxidative dehydrogenation, hydrogenation, addition-insertion, electrophilic substitution –

alkilation, acylation. Natural macrocyclic systems: Macrocycyclic antibiotics and related

systems. Natural porphyrins and corrins – Vit. B12, chlorophyll, hemoglobin, myoglobin and

cytochromes. Oxygen transport and storage. Design and synthesis of biomimetic

macrocycles: Functionalisation of porphyrins – capped, fenced, bridged and dimeric

porphyrins as models of natural oxygen transporting systems. Synthetic models of

metaloenzymes (monooxygenase–cytochrom P-450, B12 coenzyme). Oxygen binding and

activation. Synthetic biomimetic catalysts.


ECTS: 1.5

Semester: winter

Bibliography:

Recent Advances in Synthetic Organic Chemistry

Course code: Ci05



Number of hours: 30


Organic chemistry of fullerenes: Methods of fullerenes separation and purification.

Chemical reactivity of C60. Reactions with nucleophiles and electrophiles. Oxidation,

reduction and halogenation. Cycloaddition as method of fullerene functionalisation.

Methanofullerenes. Heterofullerenes. Diels-Alder cycloadducts. Preparation of bioconjugates.

Fullerene modified polymers. Endohedral metal complexes. Supramolecular chemistry of

fullerenes – complexes with calixarenes, cyclodextrins and cyclotriveratrylenes. Buckybowls

– synthesis of semibuckminsterfullerenes. Perspectives and applications. Organic chemistry

on solid supports: Resins, linkers and reagents for solid phase organic synthesis (SPOS).

Cleavage strategies. Solid phase organic reactions – representative examples. Solid phase

peptide synthesis. Combinatorial chemistry. Synthetic strategies in combinatorial and parallel

synthesis of peptides, oligonucleotides, oligosaccharides and small- molecular-weight

compound libraries. Expanded, contracted and isomeric porphyrins: Synthetic aspects of

porphyrins chemistry. Procedures leading to expanded, contracted and isomeric porphyrins.

Biomimetic approach to porphyrinoid systems. Medical applications of expanded porphyrins

– Magnetic Resonance Imaging (MRI), Photodynamic Therapy (PDT), Antisense applications

134

– RNA hydrolysis and DNA photolysis. Unconventional methods in organic synthesis: Use

of microwaves, ionic liquids and enzymes. Solvent-free organic synthesis. High pressure

methods. Transition metals in organic synthesis – selected examples.

Method of evaluation: colloquium

ECTS: 3.0

Semester: winter

Bibiography:

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Course code: Ci07

Title of the course: Application of spectroscopy in the organic chemistry

Tutor: Dr. Anna Kolasa

Teaching objectives: Except the subject related competences students should learn some

generic competences like problem solving, abstract thinking, applying known solutions in

new situations, critical evaluation of data as well as taking part in discussions and team-work



and classes(i)

Tutorials

Course code: Ci07k

Type of course: tutorials


Number of hours: 30

Description of the course: The course is a continuation of basic principles of spectroscopic

methods gained by students in the course of organic chemistry. The following methods are

discussed:

Ultraviolet and visible spectroscopy: spectra of dienes, enones and aromatic compounds;

steric effects and UV-VIS spectra; influence of solvents on absorption bands; application of

UV-VIS spectra for structure elucidation, monitoring of reactions, determination of

dissociation constants, investigation of equilibria (tautomerism, complex formation), analysis

of mixture composition.

135

Mass spectrometry: HRMS and molecular formula; ionisation methods and their influence on

spectra; fragmentation pathways for main classes of organic compounds and the methods to

prove them; rearrangements; combination of MS with chromatography (GC/MS).

Infrared spectroscopy: Bands typical for functional groups and structural units; interpretation

of spectra; application of IR in stereochemistry and quantitative analysis.

Nuclear magnetic resonance: interpretation of spectra with complicated spin patterns; NMR

of various nuclei (1H,

13C,

19F,

31P,

15N), heteronuclear couplings; coupling constants and their

application for structure elucidation; decoupling technique; chemical shift reagents;

application of NMR in: stereochemistry, investigation of dynamic processes, biology and

medicine.

A range and limitations of methods under consideration. Complementary usage of all the

methods for structure elucidation of complex organic compounds.


ECTS: 3.0

Semester: summer (VI)

Bibiography:

R. M. Silverstein, F. X. Webster; “Spectrometric identification of organic compounds” ; John

Wiley & Sons 1989

M. Hesse, H. Meier, B. Zeeh; “Spektroskopische Methoden in der organischen Chemie”;

Georg Thieme Verlag 1995

Course code: Ci08

Title of the course: Retrosynthetic analysis



Except the subject related competences students should learn some generic competences like

problem solving, applying known solutions in new situations, as well as an active

participation in discussions and team-work

Lecture and classes

Course code: Ci08i


136


Number of hours: 30

Description of the course: This course should provide students with the ability to design the

pathways of synthesis for complex organic molecules, including natural compounds and

synthetic biologically active compounds. Topics: multistep syntheses and their yields;

synthons, disconnections and thinking backwords: from final product to educts; selection of

proper functional groups in starting materials and proper reactions to achieve the product

wanted; formation of certain bonds as a crucial point of retrosynthetic analysis; chemo-,

regio-, and stereoselective strategies; application of software and biomimetic pathways in

retrosynthetic analysis; retrosynthetic analysis of some complex molecules taken from

literature.


ECTS: 3.0

Semester: winter (VI)

Bibiography:

Ch. Willis, M. Wills “Organic synthesis” Oxford Universioty Press 1997

M. B. Smith “Organic Synthesis” McGraw-Hill International Editions 1994

E. J. Corey, Xue-Min Cheng “The logic of chemical synthesis” John Wiley & Sons 1989

Course code: Ci10

Title of the course: TWO-DIMENSIONAL NMR SPECTROSCOPY


Tutor: Barbara Rys PhD, DSc

Number of hours: 15

ECTS: 1,5


Prerequisite: Application of spectroscopic methods in organic chemistry.

Application of COSY, TOCSY, HTCOR, HMQC, HMBC, NOESY, ROESY and

INADEQUATE methods to structure elucidation.

Course code: Ci13

Title of the course: MECHANISMS OF ORGANIC REACTIONS


Tutor: Janusz Sepioł PhD, DSc

137

Number of hours: 45

ECTS: 4,5


The main types of organic reactions have been presented during fundamental lecture on organic

chemistry. The present lecture will deal with the discussion of some other important organic reactions

and rearrangements, which are essential for those students who will specialise in organic chemistry.

The reactions of Jacobsen, Curtius, Hofmann, Losen, Schmidt, Konoevenagel, Wittig, Wagner-

Meerwein and also Phase-Transfer catalysis (PTC) and Vicarious Nucleophilic Substitution (VNS)

reactions will be presented. The Claisen, Beckmann and benzidine rearrangements will also be

included in the lecture.

Mechanisms of organic reaction – a seminar:

The variety and complexity of organic reactions is especially plentiful. It is of substantial

importance that students learn the methods how to formulate hypotheses concerning the

mechanisms of the reactions and ways of proving these hypotheses. During the seminar the

participants will study the analysis of several reactions in connection with the structure of

products obtained in these reactions. Methods useful for predicting the structure of final

products on the basis of their relation to the structure of substrates and conditions of the

reactions will also be included in the seminar. Recent publications dealing with the above

areas will be used in the seminar.

-----------------------------------------------------------------------------------

Course code: Ci14

Title of the course: Heterocyclic Chemistry

Tutor: Prof.Barbara Zaleska




and classes(i)

Lecture

Course code: Ci14


138


Number of hours: 15

Description of the course: Systematic nomenctature for heterocyclic systems, mono- and

policyclic. I. Non-aromatic heterocycles. Three- and four-membered ring compounds.

Interaction in the rings and influences on reactivity. II.Aromatic heterocycles. Some criteria of

aromaticity in heterocycles. Five-membered systems π-excessive . Six-embered systems π-

deficiency (pyridine). Synthesis of various heterocyclic systems. III. Fused heterocyclic rings.

Quinolines, isoquinolines, acridines, phenantridines, indol, indolizines. Other fused systems

cyclization reactions, characteristic reactivity.


ECTS: 1.5

Semester: summer

Bibiography: Thomas Gilchrist „Heterocyclic Chemistry”; Jacek Młochowski “Chemia

zwiazków heterocyklicznych” G.R.Newkone, W.V.Paudler Contemporary Heterocyclic

Chemistry.

Seminar

Course code: Ci14



Number of hours: 15

Description of the course: The general methods, available for the construction of

heterocyclic compounds from open-chain precursors and their mechanism. Characteristic

reactions of π-excessive as well as π-deficiency heterocyclic systems.


ECTS: 1.5

Semester: summer

Bibiography: Thomas Gilchrist „Heterocyclic Chemistry”; Jacek Młochowski “Chemia

zwiazków heterocyklicznych” G.R.Newkone, W.V.Paudler Contemporary Heterocyclic

Chemistry.

Course code: Ci15

139

Title of the course: Chemistry of bioactive natural products.





and classes(i)

Lecture

Course code: Ci15



Number of hours: 30

Description of the course: This lecture included a groundwork in natural product chemistry,

by considering biosynthesis leading to various selected classis of natural product present in

nature (plants) . Biological activity. Fatty acids, prostaglandins, terpenes,steroids. Flavones.

Natural-dyes . Alkaloids. Feromone. Atibiotics.


ECTS: 3.0

Semester: summer

Bibiography: Paul M Dewick „Medicinal Natural Products” Graham L.Patrick Medicinal

Chemistry. A.Kołodziejczyk “Naturalne Związki Organiczne” S. Kohmutzer

“Farmakognozja”.

Course code: Ci17

Title of the course: CHEMISTRY AND TECHNOLOGY OF MATERIALS


Tutor: Dr Ewa Witek

Number of hours: 15

ECTS: 1,5

Description of the course: Organic and inorganic raw materials in chemical industry;

products of chemical industry: synthetic fertilisers; preparations for plants protection; dyes;

preparation for food preservation; detergents; plastics; polymer aid preparations.

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140

Course code: Cj01

Title of the course: HYDROPHILIC POLYMERS

Tutor: Prof. Edgar Bortel, PhD, DSc




and classes(i)

Lecture

Course code: Cj01 (w)



Number of hours: 30

Description of the course: In the lectures newest achievements in the field of synthesis and

applications of water-soluble resins and hydrogels are presented. The focus is particularly

directed on the processes carried out in inverse micro emulsions (w/o) and on nanolatexes

thus obtained

Method of evaluation: based on participation in lectures

ECTS: 3

Semester: summer

Bibiography:

Seminar

Course code: Cj01 (s)


Tutor: Dr Ewa Witek

Number of hours: 30

Description of the course: Zgodna z tematyką wykładu

Method of evaluation: obecność i test końcowy

ECTS: 3

Semester: summer

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141

Course code: Cj02

Title of the course: FUNDAMENTALS OF POLYMER CHEMISTRY





and classes(i)

Lecture




Number of hours: 30

Description of the course: Discovery of chain structure in high molecular substance and the

origin of polymer science. Topology and isomers possible in the chain structures. Differences

between low- and high-molecular weight substances. Tactic and atactic polymers Conditions

enabling a monomer to participate in polyreactions. Mechanisms of polymerization (radical,

ionic, stereospecific, polymerization). Possibilities to control polyreactions. Determination of

average molecular masses. Chemical reactions on polymers. Theory of copolymerization.

Linear polycondensation

Method of evaluation: Examination for profile of Application Chemistry for the rest of the

students on participating in lectures

ECTS: 3

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cj03

Title of the course: FUNDAMENTALS OF POLYMER CHEMISTRY II

Tutor: Prof. Edgar Bortel, PhD, DSc, Dr Andrzej Kochanowski, Dr Marian Piasecki, Dr Ewa

Witek

142




and classes(i)

Lecture



Tutor: Prof. dr hab. Edgar Bortel,

Number of hours: 30

Description of the course: The course comprises of lectures, seminars and laboratory.

Different techniques of polymerizations are discussed and classification of polymers based on

the Hooke’s law is reviewed. Physicochemical fundamentals of behaviour of macromolecules

in solutions are elucidated. Molecular weight determination by means of such methods like

cryometry, membrane– and vapour osmometry, light-scattering, analytical centrifugation and

viscosimetry is subject of theoretical consideration and practical excercizes.

Method of evaluation: Examination for students belonging to the panel “Chemistry and

Technology of Polymers” for others on participation in lectures

ECTS: 3

Semester: winter

Bibiography:

Laboratory

Course code: Cj03 l


Tutor: , Dr Andrzej Kochanowski, Dr Marian Piasecki, Dr Ewa Witek

Number of hours: 90

Description of the course: Purification of vinyl monomers. Techniques of radical

polymerization and copolymerization: bulk polymerization, solution polymerization,

precipitation polymerization, emulsion and microemulsion polymerization, pearl

polymerization. Chemical methods of determination of degree of polymerization. Prepare of

hydrogels. Purification of polymers

Method of evaluation: presents and raports

ECTS: 9

143

Semester: summer

Bibiography:

Seminar


Type of course: seminer

Tutor Dr Andrzej Kochanowski, Dr Marian Piasecki, Dr Ewa Witek

Number of hours: 30/15

Description of the course: according with lecture

Method of evaluation: presents on seminar

ECTS: 4,5


Bibiography:

-----------------------------------------------------------------------------------

Course code: Cj04

Title of the course: INDUSTIAL SYNTHESIS OF POLYMERS AND NATURAL

POLYMERS

Tutor: Prof. Edgar Bortel, PhD, DSc, Prof. Andrzej Barański, PhD, DSc, Dr Ewa Witek




and classes(i)

Lecture



Tutor: Prof. Edgar Bortel, PhD, DSc, Prof. Andrzej Barański, PhD, DSc

Number of hours: 30

Description of the course: The course deals with syntheses and applications, as well as with

physicochemical properties of commercial polymers like polyolefins, polyamides, polyesters,

polyurethanes etc. .Natural polymers are also taken into consideration, i.e. cellulose, starch,

144

chitine – with the focus on paper production, restoration of acid paper in order to save

documents and valuable writings.

Method of evaluation: based on participation in lectured

ECTS: 3

Semester:summer

Bibiography:

Seminar



Tutor: Dr Ewa Witek

Number of hours: 1,5

Description of the course: compatible with lecturer content

Method of evaluation: credit for mark

ECTS: 1,5

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cj05

Title of the course: Chemical reactors

Tutor: dr Lucjan Chmielarz




and classes(i)

Lecture

Course code: Cj05w



Number of hours: 15

145

Description of the course: Types of chemical reactors, rules of mass and energy balance

calculations for chemical reactors. Project equations for the model reactors (tank reactor,

plug-flow reactor, cascade reactor etc), kinetic equations, examples of industrial catalytic

reactors (fix-bed, fluidized etc). Effects of mass and heat diffusion.

Method of evaluation: Solving of the problem related to reactor engineering

ECTS: 1.5

Semester: summer

Bibiography:

Laboratory

Course code: Cj05l

Type of course: Laboratory


Number of hours: 15

Description of the course: Solving the problems related to reactor engineering with using

professional computer software.

Method of evaluation: Solving the problem related to reactor engineering

ECTS: 1.5

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cj07

Title of the course: Industrial catalysis

Tutor: dr Lucjan Chmielarz, dr Piotr Kuśtrowski




and classes(i)

Lecture

Course code: Cj07w

146



Number of hours: 30

Description of the course: The main parameters which characterize industrial catalysts;

conditions of performance of catalytic industrial processes; rules of selection of optimal

composition of industrial catalyst; examples of using of catalytic processes in large-scale

inorganic technologies (e.g. synthesis of ammonia, oxidation of ammonia, synthesis of

sulphuric acid); application of catalysis in refinery and petrochemistry; catalytic methods of

removal of industrial pollution

Method of evaluation: final examination

ECTS: 30

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cj08

Title of the course: Modeling of technological processes





and classes(i)

Lecture

Course code: Cj08w



Number of hours: 30

Description of the course: Presentation of computer software package for modeling of

technological processes; design of main unit operations (dynamical, diffusion and heating

operations); simulation of chosen unit processes; modeling of complex technological units. In

147

the frame of the course students could develop skill of computer usage, especially for the

simulation of complex industrial processes

Method of evaluation: Solving of problem related to modeling of technological processes

ECTS: 3.0

Semester: summer

Bibiography:

Classes

Course code: Cj08c



Number of hours: 15

Description of the course: Solving of complex problems related to modeling of

technological processes presented in the frame of lecture, including application of computer

software for the simulation of chosen operation and process units.

Method of evaluation: Solving of problem related to modeling of technological processes

ECTS: 1.5

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cj09

Title of the course: WASTELESS TECHNOLOGIES

Tutor: dr Marian Piasecki




and classes(i)

Lecture

Course code: Cj09w


148

Tutor: dr Marian Piasecki

Number of hours: 15

Description of the course: Main technological focus directed on savings of Raw materials

and energy :rules concerning usage of raw materials under environmental point of view

(wastes) and synthesis of products liable to recycling after being wasted, or liable to

biodegradation. Presentation of some selected wasteless technologies (i.e. winning of gypsum

from wastes released from desulfuration of gases)

Method of evaluation: attendance during the lectures

ECTS: 1,5

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cj12

Title of the course: Formal kinetics

Tutor: Dr Wacław Makowski




and classes(i)

Lecture

Course code: Cj12

Type of course: w

Tutor: Dr Wacław Makowski

Number of hours: 15


Basic concepts of chemical kinetics: reaction rate, reaction order, molecularity, differential

and integrated rate equations. Temperature dependence of rate constants - the Arrhenius

equation. Collision theory and transition state theory. Kinetics of complex reactions -

reversible, parallel and consecutive. Steady state approximation, rate determining step, most

abundant reaction intermediate. Autocatalytic and oscillating reactions. Kinetic

measurements - fitting the experimental data with empirical rate laws. Relationship between

149

rate equation and reaction mechanisms. Mechanisms of gas phase reactions. Kinetics of

catalytic reactions. Chemisorption, Langmuir isotherms. Langmuir-Hinshelwood, Eley-Rideal

and Mars-van Krevelen mechanisms. Kinetics of temperature programmed desorption.

Kinetics and mechanisms of solid state reactions. Parabolic law, shrinking core model, Jander

equation.

Method of evaluation: attendance and final test

ECTS: 1.5

Semester: summer

Bibiography:

P. W. Atkins, Chemia fizyczna, PWN, 2001, chapters 25-28

A. Barański, Kinetyka chemiczna, in: Chemia fizyczna, PWN, 1980, pp. 776-890

-----------------------------------------------------------------------------------

Course code: Cj13

Title of the course: Industrial catalytic methods

Tutor: Prof. dr hab. Roman Dziembaj, dr Piotr Kuśtrowski, dr Lucjan Chmielarz




and classes(i)

Lecture

Course code: Cj13w


Tutor: of. dr hab. Roman Dziembaj

Number of hours: 30

Description of the course: Presentation of the most up-to-date chemical technologies based

on catalytic processes and perspectives of their application

Method of evaluation: evaluation of report

ECTS: 3.0

Semester: winter

Bibiography:

150

Seminar

Course code: Cj11s



Number of hours: 60

Description of the course: Presentation of results of the studies obtained by diploma students

including different problems related to catalysis and chemical technology

Method of evaluation: Evaluation of oral presentation

ECTS: 6.0

Semester: winter and summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Ck02

Title of the course: Self-organization in chemical and biological systems

Tutor: dr hab Marek Frankowicz


Lecture

Course code: Ck02w


Tutor: dr hab Marek Frankowicz

Number of hours: 30


Elements of theory of dynamical systems: phase space, phase trajectories, attractors.

Bifurcations, elements of catastrophe theory.. Deterministic chaos. Strange attractors. Fractal

geometry. Examples: Brusselator, van der Pol oscillator, enzymatic systems, Lorenz model,

logistic map. Reaction-diffusion systems. Turing struktures. Waves and impulses. Elements of

theory of stochastic processes. Markov processes. Master equation. Stochastic simulation

techniques. Noise induced phase transitions.

Method of evaluation: students prepare essays on chosen topics

ECTS: 3

Semester: summer

151

Bibliography:

A.L. Kawczyński: Reakcje chemiczne od równowagi poprzez struktury dyssypatywne do

chaosu, WNT, 1990

M. Orlik: Reakcje oscylacyjne porządek i chaos, WNT, 1996

S.K. Scott: Oscillations, Waves, and Chaos in Chemical Kinetics, OUP, 1994

A. Harrison: Fractals in Chemistry, OUP, 1995

M. Tempczyk: Teoria chaosu dla odważnych, PWN, 2002

D. Kaplan and L. Glas: Understanding Nonlinear Dynamics, Springer 1995.

-----------------------------------------------------------------------------------

Course code: Ck03

Title of the course: Density Functional Theory

Tutor: Professor Roman F. Nalewajski

Teaching objectives: This course introduces to the audience ( IVth-year undergraduates and

graduate students) the elements of the modern Density Functional Theory (DFT), which

dominates both the current ab initio calculations of the electronic structure of large molecular

and solid-state systems and contemporary conceptual developments in the theory of chemical

reactivity



and classes(i)

Lecture

Course code: Ck03w



Number of hours: 30

Description of the course: Mathematical and physical supplement: functional derivative and

statistical ensembles in quantum mechanics. Hohenberg-Kohn Theorems and their

implications, Levy’s constrained-search principle. Equilibrium (thermodynamic) states of

152

molecular systems in the Grand-Canonical ensemble. The discontinuity of the chemical

potential at T = 0 K, as function of the system average number of electrons, and its physical

implications. The Kohn-Sham (KS) method: variational derivation of the effective

Schrödinger equation for orbitals, physical interpretation of KS orbitals, Janak’s Theorem.

The Kohn-Sham-Mermin theory for ensembles. The density functional for the exchange-

correlation energy: uniform-scaling properties, local and non-local (gradient) approximations,

relation to the classical Thomas-Fermi-Dirac-Weizsäcker and Slater theories. Adiabatic

connection between the hypothetical (non-interacting) KS system and the real (interacting)

system of the same electron density, and expressing the exchange-correlation energy as

functional of the exchange-correlation hole. The Hartree and Hartree-Fock theories as

references in definitions of the exchange and correlation holes. Examples of the functionals

used in molecular DFT calculations: LDA, GGA, and hybrid functionals. Survey of the

accuracy level of KS calculations in typical ground-state applications. Orbital-dependent

density functionals: the Optimized Potential Model and Optimized Effective Potential theory,

the Krieger-Li-Yafrate approximation. Selected generalizations of Hohenberg-Kohn

theorems. Elements of the Time-Dependent theory and the excited states in DFT. Importance

of DFT for conceptual chemistry: electronegativity and hardness descriptors of the electron

gas in molecules, reactivity criteria of open molecular systems – the Fukui Function and

charge sensitivities of reactants.

Method of evaluation: essay, after completion of lectures.

ECTS: 3.0

Semester: Summer

Bibiography: (1) R. F. Nalewajski, Podstawy i metody chemii kwantowej. PWN, Warsaw

2001 (In Polish); (2) R. G. Parr, W. Yang, Density Functional Theory of Atoms and

Molecules. Oxford University Press, New York 1989; (3) R. M. Dreizler, E. K. U. Gross,

Density Functional Theory: An Approach to the Quantum Many-Body Problem. Springer-

Verlag, Heidelberg 1990; (4) R. F. Nalewajski (red.), Density Functional Theory I-IV, Topics

in Current Chemistry, Vols. 180-183. Springer-Verlag, Heidelberg 1996; (5) R. F. Nalewajski

and J. Korchowiec, Charge Sensitivity Approach to Electronic structure and Chemical

Reactivity. World-Scientific, Singapore 1997.

-----------------------------------------------------------------------------------

153

Course code: Ck04

Title of the course: Theoretical spectroscopy

Tutor: Professor Marek Pawlikowski




and classes(i)

Lecture

Course code: Ck04W



Number of hours: 30

Description of the course: The interactions between electronic and nuclear degrees of

freedom (adiabatic and non-adiabatic BO approaches, vibronic couplings, Jahn-Teller and

Franck-Condon effects); The probability of optical transitions in molecules (one- and two-

photon processes: absorption, emission and Raman scattering); The optical phenomena in a

presence of external fields (Stark and Zeeman effects); The magnetic circular dichroism

(MCD) spectroscopy and the relative phenomena such as NMR and EPR; The natural circular

dichroism in the dipole-allowed and dipole forbidden electronic states. The Cotton effect in

molecules consisting of identical units (dimers, tetramers); The theoretical background of the

resonance Raman spectroscopy (RRS) (scattering tensors in the resonance limit, interferences

in the Raman cross-section, excitation profiles and depolarization dispersions); The fate of

the energy upon molecular excitations (radiative and non-radiative transitions, energy transfer

between molecules and environment, quantum yield and the lifetimes of the excited states,

Jablonski diagram); The computational methods in the electronic spectroscopy; The spectral

characteristics evaluations in terms of quantum chemical approaches based on CASSCF and

(TD) DFT methodologies.

Method of evaluation: examination in writing or oral questions

ECTS: 3

Semester: summer

Bibliography:

154

D.C. Harris, M.D.Bertolucci, Symmetry and spectroscopy, New York, Oxford University

Press, 1978 (in English)

A.Gołębiewski, Elementy mechaniki i chemii kwantowej, PWN, 1982 (in Polish)

P.W.Atkins, Molekularna mechanika kwantowa, PWN, 1974 (in Polish)

R.M Golding, Applied wave mechanics, van Nostrand Comp. Ltd., London 1969 (in English)

-----------------------------------------------------------------------------------

Course code: Ck06

Title of the course: Elements of theoretical solid state physics

Tutor: Professor Piotr Petelenz

hTeaching objectives:



and classes(i)

Lecture

Course code: Ck06W


Tutor: Professor Piotr Petelenz

Number of hours: 30

Description of the course: Translational symmetry and its consequences: reciprocal lattice,

quasimomentum, Brillouin zone, Bloch Theorem. Crystal lattice dynamics; phonons.

Electrons in a crystal: band theory, pseudo-one-particle picture; metals: free and quasi-free

electrons, effective-mass approximation; other crystals: tight-binding approximation,

electrons vs holes. Electron-phonon interaction: scattering, band narrowing, polarons; “band”

and “hopping” transport. Electron-hole interaction and basic semiconductor physics; Wannier,

Frenkel and intermediate excitons. Excitons in molecular crystals; Davydov splitting.

Electron-electron interaction and basic metal physics: screening, interaction mediated by

phonons, introduction to the theory of superconductivity (BCS).

Method of evaluation: oral examination

ECTS: 3.0

155

Semester: winter term

Bibiography:

-----------------------------------------------------------------------------------

Course code: Ck07

Title of the course: Information theory of molecular systems



Introduction to the audience ( 4th

-year undergraduates and graduate students) of the main

concepts and techniques of the information theory: Shannon entropy, Fisher information,

information distance (entropy deficiency, missing information) of Kullback and Leibler,

information variational principles, as well and with their applications in a chemical and

thermodynamic-like interpretation of the electronic structure of molecular systems.



and classes(i)

Lecture

Course code: Ck07w



Number of hours: 30

Description of the course: Entropy/information and communication channels: a survey od

basic concepts, theorems and principles of the information theory: complementary

uncertainty/information measures of Shannon and Fisher, cross-entropy (information

distance) of Kullback and Leibler. Principles of the maximum entropy, minimum entropy-

deficiency, and the extreme physical information. Combination rules for the entropy-

information descriptors of subsystems. Electronic kinetic energy as measure of the Fisher

information in molecular electron distributions. Schrödinger equation as information

principle. Information-theoretic analysis of molecular electron densities, relative to the

promolecular distribution due to non-bonded atoms: relations between the local missing-

information densities and the density difference function, diagrams of the density difference

156

and entropy-deficiency densities relative to the promolecular reference. Shannon entropy

densities and the electron-localization function. Atoms-in-Molecules from the information

theory: partition of the molecular electron density into atomic fragments, properties of the so

called “stockholder” atoms from the partition of the one- and two-electron densities, and their

justification in information theory. Molecule as information system and the

entropy/information interpretation of the global bond-multiplicity of molecular systems and

their covalent/ionic composition. Entropy/ information descriptors of bond multiplicities

involving molecular subsystems. A comparison between the bond indices from the

communication theory and predictions from the Valence-Bond and Molecular-Orbital theories

for simple orbital models. Illustrative applications of the information theory to reactive

systems. Elements of the local “thermodynamics” of molecular systems and their fragments in

the combined description within the Density Functional and information theories.

Method of evaluation: esay

ECTS: 3.0

Semester: Summer

Bibiography:

N. Abramson, Teoria informacji i kodowania, PWN, Warszawa, 1969.

B. R. Frieden, Physics from Fisher Information – A Unification, Cambridge University Press,

Cambridge, 2000.

R. F. Nalewajski, Information Theory of Molecular Systems, Elsevier, Amsterdam, 2005 (w

druku).

L. Brillouin, Nauka a teoria informacji, PWN, Warszawa 1969.

A, M. Jagłom, I. M. Jagłom, Prawdopodobieństwo i informacja, Książka i Wiedza ,

Warszawa 1963.

A. Dąbrowski, O teorii Informacji, Wydawnictwo Szkolne i Pedagogiczne, Warszawa, 1974.

J. R. Pierce, Symbole, sygnały i szumy – wprowadzenie do teorii informacji, PWN,

Warszawa, 1967.

-----------------------------------------------------------------------------------

Course code: Ck08

Title of the course: Quantum-chemical molecular modeling

Tutor: Dr. Artur Michalak

Teaching objectives: The main goal of the course is a practical introduction to the

computational methods of quantum chemistry. After completing the course student should be

familiar with practical aspects of computational chemistry, and be able to apply quantum

157

chemical programs in the description of electronic structure of organic, inorganic, and

organometallic systems, as well as in the theoretical analysis of chemical reactivity.


lecture(w), computer laboratory (l),

Lecture

Course code: Ck08w



Number of hours: 30

Description of the course: Using quantum chemical software – general rules; input data for

quantum chemical calculations; available software. Born-Oppenheimer approximation;

potential energy surface (PES), stationary points on PES. Practical aspects of geometry

optimization of molecular systems; optimization of minima (reactants, products) and saddle

points (transition states); reaction paths on PES. Commonly used computational methods;

variational and perturbational methods; Hartree-Fock method (HF); restricted and unrestricted

HF (RHF and UHF); ab initio and semiempirical methods. Basis sets in ab initio calculations.

Molecular orbitals, electron density, populational and bond-order analysis. Visualisation

methods. Chemical bond; differential density (deformatyion density); delocalized and

localized orbitals; localization methods. Vibrational analysis; normal modes. Electron

correlation; Configuration interaction methos (CI), Moller-Plesset perturbational method

(MP). Density functional theory (DFT) and Kohn-Sham (KS) method. Practical aspects of

DFT calculations; exchange-correlation functional choice. Modeling of large systems; hybrid

methods (QMMM). Solvent effects; continuum models. Chemical reactivity; single- and two

reactant reactivity indices; interaction energy partitioning methods. Modeling of elementary

reactions of complex processes. Thermodynamic properties; free-energy of chemical

reactions; ab initio molecular dynamics approaches.

Method of evaluation: project/essay or exam (arranged with lecturer)

ECTS: 3 or 5 (exam)

Semester: summer (on Tuesdays)

Bibiography:

practical aspects of computational chemistry:

• web page

• F. Jensen, Introduction to Computational Chemistry, Wiley, 1999

158

• W. Koch, M.C. Holthausen, A Chemist's Guide to Density Functional Theory, Wiley,

2001.

• A.R. Leach, Molecular Modeling. Principles and Applications. Pearson Education

2001.

• Encyclopedia of Computational Chemistry. Wiley, 1998. (wybrane artykuły)

• selected articles from scientific journals

theoretical basis of the quantum-chemica methods:

• R.F. Nalewajski Podstawy i metody chemii kwantowej. PWN 2001.

• L.Piela, Idee chemi kwantowej. PWN 2001

• A. Szabo, N.L. Ostlund, Modern Quantum Chemistry: Introduction to Advanced

Electronic Structure Theory, Dover, 1989

Laboratory

Course code: Ck08l

Type of course: computer laboratory


Number of hours: 60

Description of the course: Computer exercises - quantum-chemical calculations performed

by students will illustrate applications of various quantum-chemical methods in the

description of the electronic structure of simple organic, inorganic and organometallic

molecules and in the problems of chemical reactivity.

Method of evaluation: lab reports

ECTS: 6

Semester: summer (on Tuesdays)

Bibiography:

• web page

• selected articles from scientific journals

-----------------------------------------------------------------------------------

Course code: Ck09

Title of the course: Biospectroscopy

159





and classes(i)

Lecture

Course code: Ck09W



Number of hours: 30

Description of the course: The nuclear motions in large molecules (local and normal mode

representations); The infrared and Raman spectroscopy in applications to large biologically

important molecules (e.g., peptide, protein, metalo-organic complexes, etc.); A role played by

symmetry; The spectroscopy of vis-UV transitions and their description based on the

molecular orbital theory and the configuration interaction scheme; The vibrational structure of

absorption and emission bands due to vibronic interactions and FC principle in the excited

electronic states. The carotenoids and porphyrins discussed as illustrative examples; The

natural circular dichroism (CD-Cotton effect) and its significance for a structural analysis of

large molecules; The energy transfer processes in the excited states of peridinin-chlorofil-

propein (PCP) (light harvesting) complexes. The resonance Raman spectroscopy (RRS) as a

tool to study large molecules containing biologically active chromophores. The excitation

profiles and depolarization dispersions of totally and nontotally symmetric RR fundamentals

for selected molecules such as chlorofil-a, vitamin B12 and cytochrome-c.

Method of evaluation: examination in writing or oral questions

ECTS: 3.0

Semester: 2nd

semester (summer)

Bibliography:

a. D.C. Harris, M.D.Bertolucci, Symmetry and spectroscopy, New York, Oxford

University Press, 1978 (po angielsku)

b. A.Gołębiewski, Elementy mechaniki i chemii kwantowej, PWN, 1982

-----------------------------------------------------------------------------------

160

Course code: Ck10

Title of the course: Theory of excitons

Tutor: Prof. Piotr Petelenz

Teaching objectives: Formation of intuitive understanding of the main concepts of exciton

theory, viewed in the context of semiconductor physics, physics of molecular crystals and

optoelectronics



and classes(i)

Lecture

Course code:


Tutor: Prof. Piotr Petelenz

Number of hours: 30

Description of the course: Second-quantization formalism, commutation rules for bozon,

fermion and paulion operators. Electrons and holes in semiconductors. Consequences of

translational symmetry: band structure, quasimomentum, Brillouin zone, Bloch theorem.

Low-energy electronic excitations in periodic structures. Delocalization in orbital and

excitonic sense; classification of excitons and their limiting cases: Wannier-Mott, Frenkel, CT

excitons, intermediate excitons. ∆k=0 selection rule. Wannier excitons: hydrogenic model and

its shortcomings. Screening of Coulombic interaction in semiconductors; electron-hole

interaction via phonon field. Wannier exciton complexes exemplified by the complex with

ionized donor; biexcitons. Excitons in molecular crystals and aggregates: molecular exciton,

mechanisms of Frenkel exciton propagation, singlet and triplet excitons, Davydov splitting.

Coupling to vibrational degrees of freedom; limiting cases of vibronic coupling. Lattice sums.

macroscopic polarization, role of boundary conditions., non-analytic energy contributions.

Interaction with electromagnetic radiation: polaritons, stopping bands, metallic reflection.

Experimental methods: absorption, reflection, emission spectroscopy, photocurrent spectra,

electro-absorption. Energetics of molecular crystals; electric and optical band gap.

Chcarge-transfer excitons: consequences of charge delocalization, mixing of different CT

configurations and couling to Frenkel excitons. Interpretation of electro-absorption spectra.

161

Transport properties of excitons: band model and hopping model.

Method of evaluation: oral examination

ECTS: 4

Semester: summer or winter

Bibliography:

Course code: Cl04

Title of the course: ISOLATION AND IDENTIFICATION OF ENDOGENOUS

COMPOUNDS

Tutor: Dr. Piotr Suder, MSc, Dr. Marek Smoluch, Prof. Jerzy Silberring PhD, DSc, Prof.

Adam Dubin PhD, DSc (IMB JU)

Number of hours: 30

ECTS: 3,5

Description of the course: Practical aspects of the isolation of proteins, peptides and other

endogenous molecules. Bioinformatics. Applications of modern analytical techniques: mass

spectrometry, HPLC, LC/MS, nanospray, capillary zone electrophoresis, peptide map,

aminoacid analysis, protein/peptide sequencing.

-----------------------------------------------------------------------------------

Course code: Cl06

Title of the course: The art of presentation

Tutor: Prof. dr hab. Jerzy Silberring, dr Agnieszka Kraj


To acquire the practical knowledge on scientific data presentation, including talks and posters

for the conferences.



and classes(i)

Classes

Course code: C106

Type of course: classes (n)

Tutor: prof. dr hab. Jerzy Silberring, dr Agnieszka Kraj

162

Number of hours: 30


The course is organized in a form of workshop with actors (pronounciation, intonation),

psychologist (coping with stress), psychiatrist (gaining atypical situations). Topics include,

among others, methods for lecture and poster preparation and advanced options of the

PowerPoint software. Presentations will be recorded with a video camera for further

discussion of eventual drawbacks and improvements.

Method of evaluation: presentation of a 5-min. talk on a selected topics. Preparation of the

15-min.presentation on a selected topics. Obligatory presence on at least 80% classes.

ECTS: 3

Semester: summer

Bibiography: none

-----------------------------------------------------------------------------------

Course code: Cv01

Title of the course: METHODS AND TECHNIQUES OF DATA PRESENTATION

Tutor: Dr. Grzegorz Stopa




and classes(i)

Lecture

Course code: Cv01


Tutor: Dr. Grzegorz Stopa

Number of hours: 15


Description of methods and techniques how to present effectively different kind of data.

These knowledge is used to: writing of diploma thesis, preparing and delivering short

conference speeches or lectures, preparing conference posters. There are also given examples

how to introduce and present oneself to employer during process of application for a job.

163

Method of evaluation: preparation of the final project

ECTS: 1,5

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cv02

Title of the course: Alumnus on the Labour Market


Teaching objectives: Preparation of graduates to enter job market



and classes(i)

Lecture and classes

Course code: Cv02i



Number of hours: 15


cv, application letter, interview, tests, assessment centre, negotiations

Method of evaluation: cv and application letter; enterprise description; written test

ECTS: 1,5


Bibiography:

1. Bronisław Szydłowski, Praktyczny Poradnik Poszukiwania Pracy. Listy motywacyjne

i curriculum vitae, Kraków 2000

2. Eric Tyson, Jim Schell, Własna Firma, IDG Books, Warszawa 1999

3. Gavin Kennedy, Negocjacje doskonałe, Rebis, Poznań 2000

4. Biuletyny i poradniki Urzędu Pracy: Jak znaleźć odpowiednią pracę, Indywidualny

Plan Działania. Poradnik dla Absolwenta, Wejście i powrót na rynek pracy

164

5. Katalogi: Praktyki – przewodnik dla studentów poszukujących praktyk, Pracodawcy,

Absolwent, Pracuj.pl, Hobsons Kariera w Polsce, Profile:Polska International

Casebook

6. Absolwent na rynku pracy. Skrypt do ćwiczeń, wyd. Wydział Chemii UJ, Kraków

2003

-----------------------------------------------------------------------------------

Opis ogólny kursu:

(Cele dydaktyczne wypełnia się w stosunku do kursów obowiązkowych oznaczonych A i B)

Course code: Cw02

Title of the course : Biological chemistry laboratory

Tutor : dr hab. Krzysztof Lewiński (kierownik)

Teaching objectives: To develop competence of student applying modern experimental and

computational methods in research




Laboratorium

Course code: Cw02 l

Type of course

Tutor: dr hab. Krzysztof Lewiński (kierownik)

Number of hours : 90


Laboratory exercises cover: kinetics of enzymatic processes, proteomics, X-ray structural

analysis of proteins and utilization of data bases (Protein Data Bank, Cambridge Structural

Data Base, SwissProt,Medline, Science Citation Index. Students are using modern

spectroscopic and analytical methods as mass spectroscopy, HPLC, Raman and IR

spectroscopy, UV-VIS, spectrofluorimetry, X-ray diffractometry.

Method of evaluation : raport

ECTS: 9

Semester: (zimowy, letni, zimowy/letni)

Bibiography:

165

Course code: Cw03

Title of the course: CHEMISTRY OF NEW MATERIALS - LABORATORY

Tutor: Wiesław Łasocha PhD, DSc (head)


ECTS: 9


Synthesis of selected materials (e.g. superconducting, layred, fibrillar compounds etc.).

Investigations of phase composition as a function of temperature and atmosphere.

Measurements of selected properties of crystalline samples.

Sample preparation, X-Ray measurements and structure solution. Study of relations between

crystal structure and chemical, physical or biological properties and applications.

Course code: Cw04

Title of the course: CATALYSIS AND CHEMISTRY OF SOLID STATE SURFACE -

LABORATORY

Tutor: Dr Andrzej Kotarba (head)


ECTS: 14

Description of the course: The course serves as a complementary unit to the lecture on

Catalysis and Chemistry of Solid State Surfaces. The laboratory classes are organized in the

research groups of Inorganic Chemistry Department and Regional Laboratory of

Physicochemical Analyses and Structural Research and are focused on the following

problems:

surface morphology: scanning electron microscopy, BET-surface area, porosity, X-ray

microanalysis, spectroscopy and surface science: IR of adsorbed molecules, UHV hardware,

X-ray photoelectron spectroscopy, electrical properties of surfaces: work function, surface

ionization, thermal electron emission, surface chemical bond: TPD of probe molecules,

temperature programmed surface reaction on catalytic surfaces.

Students perform instructed experiments, interpret the results and prepare short reports.

-----------------------------------------------------------------------------------

Course code: Cw05

166

Title of the course: CRYSTAL STRUCTURE ANALYSIS





and classes(i)

Laboratory

Course code: Cw05l



Number of hours: 30


Selection of crystals for X-ray experiment – crystal optical homogeneity (polarizing

microscope), absorption coefficient from chemical composition for given wavelengths,

estimation of optimal crystal size; measuring with the Nonius KappaCCD diffractometer:

diffraction power of investigated crystal, preliminary determination of the unit cell parameters

and Laue class, strategy choice for the diffracted beams intensities measurements; data

processing, determination of Bravais lattice type, character of normalized structure factor

distribution and the space group; choice of the structure solution method (programs SIR

and/or SHELXS); refinement of the structural parameters using non-linear least-squares

method (program SHELXL) – strategy of refinement, selection of weighting scheme,

reliability indices, problem of twinning; structure analysis: configuration of the molecules,

atomic bond lengths, the values of valence angles and torsion angles - conformation of the

molecules, best planes of aromatic moieties, puckering parameters for saturated rings, mutual

packing of the chemical units in the structure – coordination polyhedra, detection of strong,

moderate and weak hydrogen bonds, intermolecular distances typical for Van-der Waals

interactions; Visualization of chemical units in anisotropic description of atomic

displacements (program ORTEP) and unit-cell contents (program MERCURY) with the

hydrogen bonds marked; CIF file preparation and structure validation (program PLATON);

comparison of the obtained results with the similar structures found in databases (Cambridge

Structural Database, Inorganic Structure Database, Powder Database etc.).

Method of evaluation: Written report from the experiments / calculations performed and

discussion of the results obtained.

167

ECTS: 4.0

Semester: summer

Bibiography:

1. J.P. Glusker, K.N. Trueblood, Zarys rentgenografii kryształów, PWN, 1977;

2. J.P. Glusker, M. Lewis, M. Rossi, Crystal Structure Analysis for Chemists and

Biologists, VCH 1994;

3. M.M. Woolfson, An Introduction to X-ray Crystallography, Cambridge University

Press, 1997.

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Course code: Cw06

Title of the course: DESIGNING CRYSTALS WITH REQUIRED PROPERTIES

Tutor: dr hab. Katarzyna Stadnicka (course supervisor), prof.. dr hab. Barbara Oleksyn,




and classes(i)

Lecture

Course code: Cw06w


Tutor: dr hab. Katarzyna Stadnicka, prof.. dr hab. Barbara Oleksyn

Number of hours: 30


Goals in designing crystalline material from the viewpoint of chemical, physical and

biological properties; choice of the building blocks, i.e. basic chemical units to be used for

construction of crystalline phases (synthons or tectons), intermolecular interactions as criteria

for selection of spacers or connectors, which ascertain three-dimensional architecture of the

crystals under design; choice of crystal growth method and optimization of crystallization

conditions; polymorphism phenomena; crystal structure determination methods using X-ray

diffraction techniques (for single crystals and powdered samples); verification methods of

168

expected properties of the materials engineered; case studies of the most spectacular crystal

engineering achievements.

Remark: Cw06w is one of the obligatory lectures in the Profile Chemistry of New Materials

and Catalysis.

Method of evaluation: multi-choice test

ECTS: 3.0

Semester: summer

Bibiography:

1. J.W. Steed, J.L. Atwood, Supramolecular Chemistry, John Wiley & Sons, Ltd, 2000;

2. Crystal Design – Structure and Function, G.R. Desiraju (ed), John Wiley & Sons Ltd,

2003;

3. J. Bernstein, Polymorphism in Molecular Crystals, Oxford University Press, 2002;

4. collection of original papers from international scientific journals.

Laboratory

Course code: Cw06l

Type of course: laboratory(l)

Tutor: dr hab. Katarzyna Stadnicka, prof.. dr hab. Barbara Oleksyn

Number of hours: 45


The workshop consists of four-stage individual work of students: designing crystal structure

with specified polar, chiral or other type of chemical, physical or biological properties; search

through the literature data and choice of a procedure leading to formation of single crystals;

crystal growing experiments, X-ray structure determination, verification of the potential

properties of the obtained crystalline phases. Writing a report on the project performed and

conclusion drawn.

Remark: Cw06l is the part of specialization laboratory of the Panel on Designing Crystalline

Phases and Structure Determination in the Profile Chemistry of New Materials and Catalysis.

Method of evaluation: written report and 20 min. presentation of the achieved results

ECTS: 6.0

Semester: summer

Bibiography:

1. W. Steed, J.L. Atwood, Supramolecular Chemistry, John Wiley & Sons, Ltd, 2000;

2. Crystal Design – Structure and Function, G.R. Desiraju (ed), John Wiley & Sons Ltd,

2003;

169

3. J. Bernstein, Polymorphism in Molecular Crystals, Oxford University Press, 2002;

4. collection of original papers from international scientific journals.

Course code: Cw07

Title of the course: CO-ORDINATION CHEMISTRY - LABORATORY

Tutor: Dr Ewa Wasielewska (head)


ECTS: 14

Description of the course: Synthesis and characterisation of coordination compounds: X-ray

structural analysis, elemental analysis, thermogravimetry.

Spectroscopic properties of coord. compds.: UV-Vis, EPR, IR, NMR. Redox properties of

coord. compds.- different electrochemical techniques: CV, DPV, CC;

spectroelectrochemistry.

Kinetic and mechanistic investigation of reactivity of coord. compds.: stopped-flow,

conventional kinetics, high pressure kinetics, µs - flash kinetics, ns - laser photolysis.

Photochemistry of coord. compds.: continuous photolysis, µs - flash photolysis, ns flash

photolysis, quantum yield measurements, photoelectrochemistry, photochemistry of coord.

compds. deposited on semiconductor surfaces.

-----------------------------------------------------------------------------------

Course code: Cw08

Title of the course: Methods of catalyst characterization





and classes(i)

Lecture

Course code: Cw08w



170

Number of hours: 15

Description of the course: Physicochemical methods for characterization of heterogeneous

catalysts: temperature-programmed techniques (TPR, TPOx, TPD, TPSR); thermal analysis

(TG, DSC), texture studies, structural analysis (XRD). Studies of the reactions with the gas

reagents and vapor of organic compounds in differential and integral reactors, stability of

catalysts (influence of poisons), study on reaction mechanisms

Method of evaluation: final examination or oral presentation

ECTS: 1.5

Semester: winnter

Bibiography:

Laboratory

Course code: Cw08l


Tutor: dr Piotr Kuśtrowski, dr Lucjan Chmielarz, mgr Janusz Surman

Number of hours: 75

Description of the course: Scientific mini-project related to application of different

experimental methods in catalytic studies..

Method of evaluation: Evaluation of report describing results of scientific mini-project.

ECTS: 7.5

Semester: summer

Bibiography:

Seminar

Course code: Cw08s

Type of course: Seminar


Number of hours: 30

Description of the course: Theoretical preparation of student tfor performing of scientific

mini-project

Method of evaluation: Presentation of the plan of scientific mini-project

ECTS: 3.0

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

171

Course code: Cw10

Title of the course: Physicochemical methods of polymer characterization

Tutor: dr Andrzej Kochanowski




and classes(i)

Lecture

Course code: Cw10w

Type of course: w + l

Tutor: dr Andrzej Kochanowski

Number of hours: 15 + 60

Description of the course: Qualitative analysis of polymers. Determination of

macromolecule structure. Methods of determination of average molecular mass of polymers..

Method of evaluation: graded credits for „Chemistry and Technology of Polymers” panel;

credits for the lectures within „Industrial Catalysis” panel

ECTS: 7,5 (1,5 + 6,0)

Semester:

Bibiography:

Laboratory

Course code: Cw10l

Type of course:

Tutor: dr A. Kochanowski, dr E. Witek, dr M. Piasecki,

dr S. Zapotoczny

Number of hours: 60

Description of the course: Analysis of H1

NMR i C13

NMR spectra, gel chromatography,

determination of average molecular mass with various methods (viscosimetry, cryoscopy,

light scattering, analytical ultracentrifugation), analysis of size of the disperged particles in

various types of emulsions


172

ECTS: 6,0

Semester:

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cw13

Title of the course: Laboratory in Photochemistry and Spectroscopy

Tutor: dr Andrzej Turek (head)

Teaching objectives: does nor concern



and classes(i)

Laboratory

Course code: Cw13l




Description of the course: Laboratory provides an opportunity of practical acquaintance with

modern methods of molecular spectroscopy and photochemistry applied to study the structure

and transformations of various chemical species. The methods of electronic spectroscopy

include actinometry, determination of quantum yields of photochemical and photophysical

processes, spectrofluorimetry, fluorescing probes, polarization effects, measurements of

transient absorption, laser spectroscopy of molecules cooled in supersonic beams. Among

techniques of vibrational spectroscopy used in laboratory are: FT Raman and infrared

spectroscopy, resonance Raman spectroscopy and surface enhanced Raman spectroscopy. The

studied problems refer to various aspects of photochemistry and photophysics such as

photochromism, hydrogen bonding, solvation dynamics in binary solvents, charge transfer,

proton transfer, photoisomerisation, determination of structure of biologically active

molecules, investigation of photoelectrochemical properties of semiconductors and many

others. Laboratory activities give students a chance to learn many experimental techniques

and give them also a practical knowledge how to interpret the obtained experimental results.

Method of evaluation: raports

173

ECTS: 21.0


Bibiography:

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Laboratory: Experimental physicochemical methods in nanotechnology

Course code: Cw14


Head of the panel: prof. dr hab. Maria Nowakowska

Tutor: dr Paweł Wydro

Number of hours: 150

Description of the course: The properties of nanostructures formed in the surface layer

at the liquid – gas interface. Properties and structure of Langmuir monolayers (π-A

isotherms, Brewster Angle Microscopy –BAM). Molecular interactions between components

in mixed monolayers. Surface potential. Chemical reactions in monomolecular films.

Equilibrium constants at the air/water interface. Polymeric and hybrid nanostructures –

synthesis and properties. Nano- and microcapsules for controlled release of drugs. Emulsion

polymerization. Osmometry, osmotic pressure, isotonic coefficient. Atomic force microscopy

(AFM). Electrochemical methods of the controlled modification of metals surfaces and.

their applications in nanotechnology. Electrochemical corrosin, Pourbaix diagrams,

passivation of metals, Tafel plots. Rotating disc electrode (RDE), diffusion coefficient, mass

transport, Levich equation. Plarografy. Elecktrode kinetics, cyclic voltamperometry. Ion

selective electrodes, potentiometric titration, electrode potentials in aqueous-organic

environments.

Method of evaluation: completion of lab experiments, reports, graded credits

ECTS: 17


Advanced Organic Chemistry Laboratory CCCCwwww15C15C15C15C

174

Assessment: Written reports.

Advanced Laboratory Techniques:

Techniques for performing experiments in anhydrous condition, in the atmosphere o

inert gasses, and at low temperatures. Vacuum techniques. Experiments with

gaseous reagents. Synthesis of metallic catalysts and organo-metallic reagents.

Modern techniques in chromatography and extraction.

Organic Synthesis:

A set of exercises includes the classical advanced procedures of proven value , as

well as experiments, that illustrate recently developed methods of modern organic

synthesis. There are also special exercises focused in experimental specificity of

current M.Sc. research projects. All synthetic projects have been carefully designed,

so as to correlate laboratory experiments with the lecture part of the advanced

organic chemistry course, In addition, most products synthesized by students are well

suited for the structure elucidation with use of advanced NMR techniques, and for the

later physicochemical experiments. Organic Physicochemistry:

Application of spectroscopic methods to study reaction kinetics and mechanisms and

hydrogen bonds, to determine the reaction products stereochemistry and tautomeric

equilibrium. Investigation of the steric and electronic effects of substituents.

-----------------------------------------------------------------------------------

Course code: Cw17

175

Title of the course: Instrumental methods in environmental analysis

Tutor: dr Jolanta Kochana




and classes(i)

Laboratory

Course code: Cw17 (l)


Tutor: dr Jolanta Kochana

Number of hours: 40


Potentiometric determination of cations and anions using ion-selective electrodes; Stripping

voltammetry in trace analysis; Selective catalytic reduction of NO over a V-O-Mn catalyst;

Application of Raman Spectroscopy for identification and determination of organic

compounds; FTIR spectroscopy applied to study environmental pollution; Mass spectrometry

and hyphenated techniques (LC-MS and GC-MS); Quantitative analysis in gas

chromatography. Determination of components in gaseous and liquid mixtures; Diffraction

methods in industrial analysis: powder X-ray diffraction (PXRD); Application of structural

databases in industrial analysis; SPE in environmental analysis. Determination of trace

amounts of phenol in water.


ECTS: 4.5

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cw20

Title of the course: Laboratory of chemical processes



176



and classes(i)

Laboratory

Course code: Cw20l



Number of hours: 30

Description of the course: Solving of the problems related to thermodynamic, kinetics of

chemical reactions and chemical engineering with using professional computer software.

Presentation of abilities of computer data bases for solving complex chemical problems and

advanced literature studies.

Method of evaluation: Presentation of mini-project

ECTS: 3.0

Semester: summer

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cz04

Title of the course: Applied quantum chemistry for catalysis

Tutor: prof. dr hab. Ewa Brocławik (Institue of Catalysis and Surface Chemistry PAN)




and classes(i)

Lecture

Course code: Cz04W


Tutor: prof. dr hab. Ewa Brocławik (Institue of Catalysis and Surface Chemistry PAN)

Number of hours: 45

177

Description of the course: Quantum chemistry has emerged as a modern tool in chemical

research, including traditionally experimental areas such as catalysis. Therefore we offer the

course tailored to: a) refresh fundamental knowledge on quantum chemistry; b) interpret basic

axioms and approximations from the point of view of physical implications; c) indroduce

quantum chemical methods in the context of usefulness in research, in to particular to

catalysis: surfaces, adsorption, active sites and reaction mechanisms. The course will have the

form merging lectures with worksops. Examples will be selected from personal sciantific

activity of students focused on advantages and limitations of advanced quantum chemical

methods in the field of catalysis and modern computer modeling.

Method of evaluation: active participation

ECTS: 4.5

Semester: Summer

Bibiography:

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Course code: Cz05

Title of the course: FORENSIC TOXICOLOGY

Tutor: dr Zofia Chłobowska




and classes(i)

Lecture

Course code: Cz05w


Tutor: dr Zofia Chłobowska (Institute of Forensic Research)



Basic concepts in toxicology (poison, routes of intoxication, cooperating factors in poisoning,

mechanisms of poisons action, detoxication processes, and the like); chemistry and toxicology

of selected ecological poisons; food contamination; tobacco; intoxicating agents in the

problems connected with ecotoxicology; environmental contaminations monitoring.

178


ECTS: 3

Semester: winter

Bibiography: : Alloway B. I., Ayres D.C. Chemiczne podstawy skażenia środowiska

Wydawnictwo Naukowe PWN Warszawa 1999; Baran-Furga H., Steinbarth-Chmielewska K.

Uzależnienia. Obraz kliniczny, leczenie, Wydawnictwo Lekarskie PZWL Warszawa !999 r.,

Brandy J. (red.) Toksykologia-wybrane zagadnienia, Wydawnictwo Uniwersytetu

Jagiellońskiego, Kraków 1999 r., Danysz A. (red.) Leki a kierowcy, PZWL, Warszawa

1980r., Dutkiewicz T. Chemia toksykologiczna, PZWL,Warszawa 1968 r., Grochowalski A.

Badania nad oznaczaniem polichlorowanych dibenzodioksyn, dibenzofuranów i bifenoli,

seria: Inżyniera i Technologia Chemiczna, monografia 272, Politechnika Krakowska, Kraków

2000 r., Gubała W., Toksykologia alkoholu wybrane zagadnienia, Wydawnictwo Instytutu

Ekspertyz Sądowych, Kraków 1997 r., Kościelniak P., Piekoszewski W. (red.), Chemia

sądowa, Wydawnictwo Instytutu Ekspertyz Sądowych, Kraków 2002 r., Maciejewski H.,

Ekologiczne i ekonomiczne skutki wynikające z niezadowalającego stanu środowiska

atmosferycznego (w:) Postęp w pomiarach emisji substancji zanieczyszczających powietrze

atmosferyczne, Wisła s. (1-20). ,Markiewicz J., Niektóre problemy toksykologii metali

ciężkich w aspekcie skażenia środowiska, Komisja Nauk Medycznych-Oddział PAN w

Krakowie, Kraków 1990 s. 117., Mędrzycka K. (red.), Gospodarka odpadami

niebezpiecznymi, Wydział Chemiczny Politechniki Gdańskiej, Gdańsk 1998., Namieśnik J.,

Jaśkowski J. (red. 0, Zarys Ekotoksykologii, EKO Farma, Gdańsk 1995 r., Seńczuk W.,

Toksykologia PZWL, Warszawa 1999r., Szczepaniec-Cięciak E., Kościelniak

P.,(red.),Chemia środowiska. Ćwiczenia i seminaria, t. I i II Wydawnictwo Uniwersytetu

Jagiellońskiego, Kraków 1999 r., Zakrzewski S.F. Podstawy toksykologii środowiska,

Wydawnictwo Naukowe PWN, Warszawa 1995r.

Biological chemistry: the principles of biology

Course code: Cz08


Tutor: dr Jerzy Galas

Number of hours: 30

ECTS: 3

Semester: winter

Principles of biochemistry:Chemical constituents of living organisms, water and it’s

functions in the organism, metabolism and its pathways, organic compounds present in living

organisms, the role of enzymes in the metabolism. Description of more important methods of

separation and analysis of selected biological compounds.

Cytology: principles of molecular organization of the cell, the structure of cell membrane and

its derivatives, structure and function of plant and animal cells. Cell cytoskeleton and its

functioning. Compartmental organization of the eukaryotic cell. Functions of the vacuolar

system, cell cycle, intercellular communication.

179

Histology: elementary information on the structure of tissues: epithelial, nervous, muscle,

connective, blood and sensory organs. The rules of taxonomical classification of organisms,

selected groups of organisms: occurrence, importance of bacteria, fungi, algae and their role

in nature, economy and life of humans, methods of plant reproduction, ecological forms of

flowering plants. Physiology: description of the functioning of selected systems of vertebrates

and humans: nervous, hormonal, alimentary, circulatory systems and the role of body fluids

(blood circulation in the frog, pulse in the human – blood pressure measurement), excretory

system, reproductive system including the process of spermatogenesis and oogenesis in the

human, sex determination, menstrual cycle, pregnancy tests, discussion of selected hereditary

diseases. The subjects discussed during lectures can accommodate wishes expressed by the

participants.

Within the scope of the course there will be visits to the Anthropological and Nature

Museums of UJ Institute of Zoology, Theatrum Anatomicum CMUJ (Normal and

Pathological Anatomy Museum) and to the UJ Botanic Garden.

-----------------------------------------------------------------------------------

Course code: Cz09

Title of the course: LEGAL ASPECTS OF FORENSIC EXPERT’S JOB

Tutor: Aleksander Głazek MSc, Prof. dr hab. Józef Wójcikiewicz PhD, DSc (Institute of

Forensic Research)




and classes(i)

Lecture

Course code: Cz09w


Tutor: mgr Aleksander Głazek, prof. dr hab. Józef Wójcikiewicz (Institute of Forensic

Research)

Number of hours: 15


Scientific evidence in legal proceeding – introduction. Forensic expert’s status and role in

legal proceeding. Forensic expert’s rights and obligations. Legal basis of forensic expertise.

180

Scope and subject of forensic expertise. Forms of forensic expertise. Scheme of the

physicochemical expertise. Drawing of final conclusions. Appearance before the court.


ECTS: 2.0

Semester: summer

Bibiography:

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Course code: Cz14

Title of the course: RADIOMETRIC ANALYSIS

Tutor: PhD Jerzy Ostachowicz (University of Science and Technology-AGH)




and classes(i)

Lecture

Course code: Cz14W


Tutor: PhD Jerzy Ostachowicz

Number of hours: 30


Radioactivity. The radioactive decay law; radioactive equilibrum. Nuclear reactions and

reaction cross section. Nuclear reactions with charged particle, with neutrons, photonuclear

reactions. Interaction of the radiation with matter. Interaction with charged particles: specific

ionisation, range, bremstrahlung radiation. Interaction with gamma and X-rays: the

photoelectric effect, the Compton effect and pair production, linear and mass absorption

coefficients. Interaction with neutrons: elastic and inelastic scattering, absorption. Natural

radioactivity. The sources of the radioactive contamination and measurements of its level.

Measurement of nuclear radiation: ionisation chamber, proportional counters, Geiger-Muller

counters, scintillation detectors, semiconductor detectors. Single channel spectrometer.

Multichannel spectrometer. Dosimetry: limits of dose, methods of dose measurement,

181

radiation protection. Radiometric methods of the density, thickness and level of liquid on-

line measurements. Radiometric methods of the humidity measurements.

Neutron Activation Analysis (NAA): basics, the neutron sources. NAA with the use of the

thermal neutrons: the instrumental method, the method with chemical separation of

radionuclides. Energy Dispersive X-Ray Fluorescence Analysis (EDXRF): basics. Sources of

the XRF excitation: radiosotope sources, X-ray tubes, synchrotron radiation. Total Reflection

XRF (TXRF). Analytical devices with the use of EDXRF method in laboratory and for on-

line control in the industrial processes.

Uncertainty and detection and determination levels in the radiometric analysis..


ECTS: 3.0 W

Semester: winter

Bibiography:

Laboratory

Course code: Cz14 L


Tutor: PhD Jerzy Ostachowicz

Number of hours: 45


RADIOMETRY:

Statistic errors of the radioactivity measurements ( No.1)

Gamma –ray spectrometer with the scintillation counter (No.4)

Dosimetry of the ionization radiation (No.7)

Determination of iron in the iron sands using gamma-absorption method and radioisotope

source 241

Am. (No.17)

Gamma-ray spectrometer with the semiconductor detector Ge(Li). Determination of

manganese by NAA method. (No 3+22)

Measurement of the humidity of the industrial material with the use of neutron flux (No.25)

EDXRF method in the analytical laboratory.

Total Reflection method (TXRF) applied for the analysis of the biological materials..

RADIOCHEMISTRY:

Introduction – how to work with radioactive materials (open sources) ?

Separation of the Fe-59 and Co-60 using ion exchange resin (No.13)

Thorium separation from uranyl nitrate with the use of the extraction. (No12)

Determination of iodine content with the use of isotope dilution analysis (No.6)

182

Determination of the PbJ2 solubility. (No.10)


ECTS: 4,5L

Semester: summer

Bibiography:

1.B.Dziunikowski, S.Kalita: Ćwiczenia laboratoryjne z jądrowych metod pomiarowych,

Wydawnictwa AGH, skrypt nr 1440, 1995, Kraków.

2. Laboratory of Radiochemistry, Instructions - : internet page: www.ftj.agh.edu.pl -

Zakłady,, Zakład Radiometrii ,, dydaktyka ,, ćwiczenia laboratoryjne z radiochemii)

INSTRUMENTAL BIOCHEMICAL ANALYSIS

Course code: Cz18

Type of course: Labolatory (l), Seminar (s)

Tutor: Prof. dr hab. Andrzej Kozik

Number of hours: 45 (l), 15 (s)

ECTS: 6

Semester: winter

Seminar

General problems of analytical biochemistry, theoretical principles of specific methods, areas

of analytical applications, statistical analysis of results and construction details of the

equipment used.

Laboratory practice

The most important instrumental methods of quantitative and qualitative analysis of

biochemical compounds and their composite mixtures. Spectrophotometry in visible and

ultraviolet light, fluorometry, nefelometry and turbidymetry. Liquid chromatography,

electrophoresis and isoelectrofocusing.

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Course code: Cz23

Title of the course: CLINICAL TOXICOLOGY

Tutor: Prof. dr. Wojciech Piekoszewski (Institute of Forensic Research)

183


Introduction to clinical toxicology with pointed out the role of analytical toxicologist in

clinical toxicology



and classes(i)

Lecture

Course code: Cz23

Type of course: lecture(w),

Tutor: Prof. dr. Wojciech Piekoszewski (Institute of Forensic Research), Zakład

Toksykologii Analitycznej i Terapii Monitorowanej CM UJ oraz Instytut Ekspertyz

Sądowych w Krakowie.

Number of hours: 30

Description of the course: Introduction to clinical toxicology, therapeutic monitoring of

adverse drug reaction, the role of the laboratory in diagnosis and treatment of poisoning,

analytical methods in clinical toxicology, introduction to toxicokinetics, poisoning control

centers, antidotes, toxicodromes, manegement of poisoned patients, epidemiology of

poisoning i Poland, toxicity of therapeutic agents, toxicity of nontherapeutic agents, drug of

abuse, plant poisoning.


ECTS: 3.0

Semester: winter

Bibiography:

-----------------------------------------------------------------------------------

Course code: Cz25

Title of the course: BIOCHEMISTRY

Tutor: prof. dr hab. Kazimierz Strzałka (Faculty of Biotechnology UJ)



184


and classes(i)

Lecture

Course code: Cz25w



Number of hours: 60


Basic life processes occuring in the cells of autotrophic and heterotrophic organisms.

Problems: structure and properties of macromolecules, molecular structure of the cell,

catalysis of biochemical processes, enzymes, energetics of plant and animal cell, selected

anabolic and catabolic processes and their subcellular localization, regulation of biochemical

processes, biogeochemical cycle, biochemical aspects of of adaptation of organisms to

environment, realization of genetic information (replication, transcription, translation),

elements of genetic engineering.

Method of evaluation: Z

ECTS: 9

Semester: summer

Bibiography:

Classes

Course code: Cz25n



Number of hours: 90


Program of laboratories contains: (1) qualitive and quantitive analysis of molecules building

living organisms: amino acids, proteins, saccharides, nucleic acids and lipids. (2) Selected

topics in enzymology: enzymatic activity of certain enzymes, enzyme specificity; influence of

substrate concentration on rate of enzymatic reactions; introduction to enzyme kinetics (Vmax,

KM); influence of competitive and uncompetitive inhibitors. (3) Protein-ligand interactions.

(4) Selected techniques applied in biochemistry: adsorption and TLC chromatography,

electrophoresis, histochemical staining; gel filtration, spectrophotometry. (5) Selected topics

in plant biochemistry: isolation and spectral characteristic of photosynthetic pigments,

measurement of fluorescence induction; measurements of photochemical activity in isolated

chloroplasts/ thylakoid membranes via 1)

absorption measurements and 2)

Clark electrode,

analysis of ∆pH in isolated thylakoids membranes; influence of uncouplers.

Method of evaluation: Z

185

ECTS: 6

Semester: summer

Bibiography:

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Course code: Cz27

Title of the course: Management in Practice

Tutor: Dr. Stefan Witkowski




and classes(i)

Lecture

Course code: Cz27

Type of course: lecture (w) part A

Tutor: Dr. Stefan Witkowski

Number of hours: 16


Part „A” introduces students to the management. Typical problems that may be encountered

in real conditions and methods of solving are presented.

Topics:

Aim, Process, Optimisation.

The Employee in an Enterprize, in Science and Selfemployment.

Ethics in Business.

Building Cooperation.

Intelectual Property .

Six Sigma Optimized Production.

A visit to General Motors Manufacturing Poland Plant in Gliwicach

Method of evaluation: colloqium

ECTS: 1,5

Semester: summer

Bibiography:

Lecture

186

Course code: Cz27

Type of course: lecture (w) part B

Tutor: Dr inż. Kazimierz Miga, mgr inż. Andrzej Korpak

Number of hours: 16


Part „A” focuses on chosen detailed topics of practical management:

Safety Management in Contemporary Enterprize

What is Process and Process Control

GM GMS (Global Manufacturing System)

Standarized Communication

HR Management under Lean Conditions Practical Problem Solving

Integrated Quality System

Method of evaluation: colloqium

ECTS: 1,5

Semester: summer

Bibiography:

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Course code: Cz31

Title of the course: Electronics and automatics

Tutor: D. Sc. Roman Płaneta




and classes(i)

Lecture

Course code: Cz31.w


Tutor: : D. Sc. Roman Płaneta

Number of hours: 30


187

Electric signals: analogue and digital.Basic electronics units. Thevenin and Norton theorems.

RC and Wien circuits.Delay line.Band structure of crystals.Extrinsic semiconductors of type n

and p.Junction model. Basic diode types: Zener, tunneling and fotodiode. Rectifiers.

Voltage regulator circuit with Zener diode. Bipolar transistors. Transistor working

configurations with common base, emitter and collector . Hybrid parameters for bipolar

transistors.Application of “h” parameters for amplifier analysis.Common-Emitter and

Common-Collector Amplifier . Feedback theory.Operational amplifier.Operational amplifier

in circuits with negative feedback. Bistable multivibrator. Astable multivibrator.

Generator with Wien bridge. Binary, octal and hexadecimal digits representation. Boolean

algebra.Basic logic circuits.Functional blocks: combinatorial and sequential.

Flip-Flops circuits: R-S, J-K i D.Shift registers, multiplexers , demultiplexers and decoders.

Sum unit . Elementary memory cell and memory circuits. Converters classification. Digital-

analog converters. Sampling circuits. Voltage comparators. Analog-digital converters.

Serial (CENTRONICS) and parallel (RS-232C) transmission


ECTS: 3.0W

Semester:winter

Bibiography:

M.Rusek i J.Pasierbiński: „Elementy i układy elektroniczne”, Wydawnictwo Naukowo-

Techniczne, Warszawa, 1997;

P.Górecki, „Układy cyfrowe”, Wydawnictwo btc, Warszawa, 2004

R.A.Colclaser, „Electronic circuit analysis”, John Wiley & Sons, 1984

T.Hayes, P.Horowitz, “Student manual for the art of electronics”, Cambridge University

Press

Laboratory

Course code: Cz31.l


Tutor: D.Sc. Marcin Wójcik

Number of hours: 60


Obligatory excercises: invesitgation of passive circuits; analoge and digital oscilloscope;

delay line, wave reflection, measurement of phase velocity; transistor amplifier with common

emitter, transistor as a current source; operational amplifier, diode in a feedback circuits as a

temperature detector; logical circuits, NAND gate applications, TTL binary counter.

Facultative excercises: analog-to-digital converter, investigation of generating and steering

circuits, memory programming, tunneling and capacity diode, simulation of electronic circuits

in frame of the MICRO-LOGIC II simulation program.

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Method of evaluation: get a credit

ECTS: 6.0L

Semester: winter

Bibiography:

PHYSICAL BASIS OF MOLECULAR DYNAMICS SIMULATION OF BIOMOLECULES

Course code: Cz35

Lecturer: Prof. dr. hab. Marta PASENKIEWICZ-GIERULA

Hours and points: 60 h (30 h lecture, 30 h classes) (ECTS 5)

Scheduled time: Fall semester

Contents:

1. Definition and perspectives of molecular modelling.

2. 3D structure of molecules and inter-atomic interactions.

3. Potential function, interaction parameters – computational problem and

approximations

4. Numerical methods: molecular mechanics (MM, structure optimisation);

molecular dynamics (MD, generation of motion) – approximations

5. Classical approach – justification; point charges.

6. Control of thermodynamic parameters – temperature and pressure.

7. Models of water.

8. Analyses of MD trajectories: equilibrium structure of biomolecules and

equilibrium dynamics of biomolecules.

Laboratory practice is intended to introduce students to the latest commercial and academic

programs for molecular modelling and demonstrate their research potential. Practice will be

conducted on graphic workstations (2 students per workstation).

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Course code: Cz37

Title of the course: Forensic physico-chemistry

Tutor: doc. dr hab. Janina Zięba-Palus




and classes(i)

189

Lecture

Course code: Cz37w


Tutor: dr. Janina Zięba-Palus (Institute of Forensic Research)

Number of hours: 30

Description of the course: Subject of forensic chemistry. Interdisciplinary character of

forensic sciences. Historical overview of toxicological and criminalistic examinations.

Application of chemical methods in forensic examinations. Evidence and control materials.

The types of materials analysed in criminalistics. The purpose of criminalistic expertise. The

interpretation of the analytical results for criminalisctic purposes. Criminalistic traces and

microtraces - definition, kind, collection and method of examination. Classification of

microtraces. Contact and non-contact traces. Preparation of expert reports. Documentation of

results obtained. Identification and comparison in trace evidence analysis. Individual and

group identification.


ECTS: 3,5 (3,5 W)

Semester: summer

Bibiography: Kościelniak P., Piekoszewski W. (red.), Chemia sądowa, Wydawnictwo

Instytutu Ekspertyz Sądowych, Kraków 2002 r.,

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Course code: Cz42

Title of the course: philosophy

Type of course: lecture, classes

Number of hours: 60

Tutor: dr Marek Suwara

ECTS: 5

Teaching objectives: familiarizing students with the history of basic philosophical problems

with the special attention put on philosophical foundations of science


a.history of the main problems in philosophy: ontology, epistemology, basic

190

elements of methodology os science

b.basic problems in contemporary philosophy of science

c.elements of philosophical anthropology, ethics and social ethics

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Course code: Cz43

Title of the course: Analytical Chemistry of Natural Products

Tutor: Dr. Caroline West

Number of hours: 15

ECTS: 3

Description of the course: HPLC methods, reverse-phase HPLC, detectors, cation-exchange

chromatography, natural products

Course code: Cz45

Title of the course: Programming Tools for the Contemporary Teaching

Tutor: dr Stefan Witkowski


Number of hours: 16 (lecture 4h) + (laboratory 12h)

Description of the course: Reasons and aims of internet use in teaching practice. Web pages.

XHTML and CSS. Teaching materials, their logical structure, SCORM standard for teaching

materials. Tools for editing teaching aids and for converting them into web pages. Web based

support for teaching. The course, its structure, building tools, managing the course. Open and

confidential parts of the teaching course. Adveritizing. Professional web pages creation


ECTS: 1.5

Semester:summer

Bibiography: Zastosowanie Technologii Informatycznych w Akademickiej Dydaktyce

Chemii, Wydział Chemii UJ, Kraków 2007, pr. zbiorowa pod red. I. Maciejowska, M.Ruszak,

S. Witkowski.

www.exelearning.org

www.moodle.pl

www.plone.org.pl

www.wordpress.org

191

Documents

ntp.ch.uj.edu.plntp.ch.uj.edu.pl/courses-2007-2008 - 5-year master.pdfntp.ch.uj.edu.pl